SCHEMBL3203940

SCHEMBL3203940

N#Cc1cccc2ccoc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HTT P42858 1/20 0.39
CYP2A6 P11509 2/20 0.37
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL30200499 0.98 CA1 (0.40) CA1CA2HTTCYP2A6TSHR
SCHEMBL98105 0.79 MEN1 (0.38) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL12679747 0.75 XDH (0.36) CYP2A6
SCHEMBL18936175 0.73 CYP2A6 (0.36) CYP2A6
SCHEMBL2259743 0.72 HTT (0.37) HTTCYP2A6
SCHEMBL15842667 0.71 CYP2A6 (0.50) CA1CA2HTTCYP2A6CYP1A2
SCHEMBL18876039 0.71 ALDH1A1 (0.38) CYP2A6TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL953913 0.71 EED (0.42) CYP2A6TDP1HTR2AHTR2C
SCHEMBL19631289 0.70 IMPDH2 (0.34) CYP2A6MAPT
SCHEMBL11364920 0.68 ENPP2 (0.33) MEN1NPC1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
CN-108473498-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 CN disclosed
CN-105566262-B Alkyl amine compound of benzofuran 7 and application thereof 华东理工大学 2017-10-27 CN disclosed
US-20160311791-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTOGONISTS FOR THE TREATMENT OF OSTEOPOSOSIS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
US-20100035980-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 2010-02-11 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7622500-B2 Antiparasitic agents PFIZER LIMITED (GB) 2009-11-24 US disclosed
US-20080200540-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 2008-08-21 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
EP-0482108-B1 SUBSTITUTED 2-IMIDAZOLINES AND PREPARATION AND USE THEREOF NOVO NORDISK AS (DK) 1996-03-20 EP disclosed
US-5262430-A Antidiabetic agent lowers blood glucose in mammals in type 2 non insulin dependent diabetes NOVO NORDISK A/S (DK) 1993-11-16 US disclosed
EP-0482108-A1 SUBSTITUTED 2-IMIDAZOLINES AND PREPARATION AND USE THEREOF. NOVO NORDISK AS (DK) 1992-04-29 EP disclosed
WO-1991000862-A1 SUBSTITUTED 2-IMIDAZOLINES AND PREPARATION AND USE THEREOF NOVO NORDISK A/S (DK) 1991-01-24 WO 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 (4 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-20100035980-A1 ANTIPARASITIC AGENTS ACHE, MPO, ABCB11 CA1 1663/4885CA2 1451/4885HTT 392/4885
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 CA1 4769/4885CA2 4362/4885HTT 334/4885
US-20160311791-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTOGONISTS FOR THE TREATMENT OF OSTEOPOSOSIS CASR, CALCR, CALCRL CA1 1589/4885CA2 95/4885HTT 4260/4885
US-20080200540-A1 ANTIPARASITIC AGENTS ACHE, MPO, ABCB11 CA1 1663/4885CA2 1451/4885HTT 392/4885

“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.