SCHEMBL6076848

SCHEMBL6076848

O=Cc1cc(Cl)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.46
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38
PLAU P00749 3/20 0.36
ORAI1 Q96D31 1/20 0.35
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL30129411 1.00 ERN1 (0.46) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL8544546 0.80 CYP1A2 (0.39) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL29952839 0.80 CYP1A2 (0.39) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL16168598 0.78 ERN1 (0.43) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL2119952 0.78 ERN1 (0.39) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL2237321 0.78 ERN1 (0.46) ERN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL2214871 0.78 ERN1 (0.39) ERN1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL2600016 0.78 ERN1 (0.43) ERN1TDP1PLAUORAI1HPGD
SCHEMBL127596 0.78 ERN1 (0.43) ERN1TDP1CYP1A2PLAUORAI1
SCHEMBL1619507 0.78 ERN1 (0.54) ERN1TDP1PLAUORAI1PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214182-B Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2022-12-23 CN claimed
CN-113214182-A Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2021-08-06 CN claimed
CN-112662639-A Short-chain alcohol dehydrogenase and application thereof 江南大学 2021-04-16 CN claimed
US-20260070920-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2026-03-12 US disclosed
EP-4169925-B1 PROCESS TO MAKE N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES NOVARTIS AG (CH) 2025-11-19 EP disclosed
US-12331060-B2 N-substituted tetrahydrothienopyridine derivatives and uses thereof NOVARTIS AG (CH) 2025-06-17 US disclosed
US-20240352030-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-10-24 US disclosed
US-20240327411-A1 SIRT6 ACTIVATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-03 US disclosed
US-12012417-B2 N-substituted tetrahydrothienopyridine derivatives and uses thereof NOVARTIS AG (CH) 2024-06-18 US disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed
EP-0702003-B1 Process for preparing 2-halogenpyridinaldehydes BAYER AG (DE) 1998-06-17 EP disclosed
US-5708180-A CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0702003-A2 Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes BAYER AG (DE) 1996-03-20 EP 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 (8 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 ERN1 3658/4885TDP1 2298/4885CYP1A2 571/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ERN1 2560/4885TDP1 4511/4885CYP1A2 2774/4885
US-12331060-B2 N-substituted tetrahydrothienopyridine derivatives and uses thereof TPMT, NNMT, NLN ERN1 2167/4885TDP1 992/4885CYP1A2 2516/4885
US-20240327411-A1 SIRT6 ACTIVATORS SIRT6, SIRT1, SIRT2 ERN1 1981/4885TDP1 2644/4885CYP1A2 3910/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 ERN1 3417/4885TDP1 2705/4885CYP1A2 720/4885
US-20240352030-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF TPMT, SARS1, NLN ERN1 1613/4885TDP1 729/4885CYP1A2 2339/4885
US-20260070920-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF CCR3, SCN1B, NR3C1 ERN1 883/4885TDP1 2046/4885CYP1A2 1279/4885
US-12012417-B2 N-substituted tetrahydrothienopyridine derivatives and uses thereof TPMT, NNMT, NLN ERN1 2073/4885TDP1 799/4885CYP1A2 2969/4885

“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.