SCHEMBL2993625

SCHEMBL2993625

O=C(O)Oc1ccc([N+](=O)[O-])cc1CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2993627 1.00 CYP1A2 (0.44) CYP1A2PTGDR2RAB9AALDH1A1TSHR
SCHEMBL2993623 0.89 RAB9A (0.47) CYP1A2PTGDR2RAB9AALDH1A1TSHR
SCHEMBL32662599 0.88 CYP1A2 (0.46) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL1525992 0.87 RECQL (0.51) RAB9AALDH1A1TSHRMAPTHPGD
SCHEMBL28102381 0.86 ALDH1A1 (0.46) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL2995979 0.85 CYP1A2 (0.44) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL2995973 0.85 CYP1A2 (0.44) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL27573003 0.84 TSHR (0.46) CYP1A2PTGDR2ALDH1A1TSHRMAPT
SCHEMBL5148727 0.83 CYP1A2 (0.42) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL5147272 0.82 CYP1A2 (0.42) CYP1A2PTGDR2ALDH1A1MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260130904-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2026-05-14 US disclosed
US-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES Westlake University (CN) 2024-03-28 US disclosed
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 US disclosed
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 US disclosed
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-05 US disclosed
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-03-16 US disclosed
EP-2753617-B9 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-20150045356-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-02-12 US disclosed
CN-103781783-A Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMA CO LTD 2014-05-07 CN disclosed
WO-2013035892-A1 PIPERAZINE- SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-14 WO disclosed
US-20100184812-A1 MUTUAL PRODRUGS AND METHODS TO TREAT CANCER UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-07-22 US disclosed
EP-2164480-A1 MUTUAL PRODRUGS AND METHODS TO TREAT CANCER University of Maryland, Baltimore (US) 2010-03-24 EP disclosed
WO-2008154372-A1 MUTUAL PRODRUGS AND METHODS TO TREAT CANCER UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-12-18 WO disclosed
EP-0830372-B1 CYCLIC PRODRUGS OF PEPTIDES AND PEPTIDE NUCLEIC ACIDS HAVING IMPROVED METABOLIC STABILITY AND CELL MEMBRANE PERMEABILITY UNIV KANSAS (US) 2001-10-10 EP disclosed
EP-0830372-A1 CYCLIC PRODRUGS OF PEPTIDES AND PEPTIDE NUCLEIC ACIDS HAVING IMPROVED METABOLIC STABILITY AND CELL MEMBRANE PERMEABILITY THE UNIVERSITY OF KANSAS (US) 1998-03-25 EP disclosed
WO-1997039024-A1 CYCLIC PRODRUGS OF PEPTIDES AND PEPTIDE NUCLEIC ACIDS HAVING IMPROVED METABOLIC STABILITY AND CELL MEMBRANE PERMEABILITY THE UNIVERSITY OF KANSAS (US) 1997-10-23 WO disclosed
US-5672584-A MODIFIED WITH END GROUPS THE UNIVERSITY OF KANSAS (US) 1997-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885
US-20240101584-A1 TARGETED DELIVERY OF 1,2,4,5 TETRAOXANE COMPOUNDS AND THEIR USES AIFM2, GPX1, GPX4 CYP1A2 2727/4885PTGDR2 656/4885RAB9A 1865/4885
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885
US-20260130904-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS EBP, SIGMAR1, EP300 CYP1A2 537/4885PTGDR2 933/4885RAB9A 3413/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 CYP1A2 109/4885PTGDR2 431/4885RAB9A 3296/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885
US-20100184812-A1 MUTUAL PRODRUGS AND METHODS TO TREAT CANCER RARA, RARB, RARG CYP1A2 390/4885PTGDR2 1328/4885RAB9A 1177/4885
US-20150045356-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CYP1A2 211/4885PTGDR2 1135/4885RAB9A 3372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.