SCHEMBL130981

SCHEMBL130981

[S]Cc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2A6 P11509 1/20 0.60
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MC4R P32245 2/20 0.47
MC5R P33032 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 1/20 0.47
IDO1 P14902 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MC3R P41968 1/20 0.44
ALOX5 P09917 1/20 0.44
PYCR1 P32322 1/20 0.43

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
SCHEMBL127104 0.81 CYP1A2 (0.56) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL26213 0.80 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL2838141 0.79 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL6240981 0.79 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29560700 0.79 CYP1A2 (0.65) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL330100 0.78 SIGMAR1 (0.59) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL130253 0.76 SIGMAR1 (0.58) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL5900962 0.75 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL7439598 0.75 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B
SCHEMBL11719313 0.75 CYP1A2 (0.60) CYP1A2CYP2A6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322669-A1 METHOD FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
EP-4257577-A2 METHOD FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2023-10-11 EP disclosed
CN-109803956-B Novel benzamide compound, process for producing the same, and acaricide 日本欧爱特农业科技株式会社 2023-08-29 CN disclosed
US-11649206-B2 Method for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-16 US disclosed
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
US-20220411449-A1 Method for Preparing Heteroleptic Triarylbismuthanes and Compounds Produced by the Same UNIVERSITY OF HAWAII 2022-12-29 US disclosed
EP-3484855-B1 NOVEL BENZYLAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND MITICIDE OAT AGRIO CO LTD (JP) 2022-02-23 EP disclosed
US-11254700-B2 GSK-3β inhibitors and use thereof in methods of treatment UNIVERSITY OF HAWAII (US) 2022-02-22 US disclosed
WO-2021261471-A1 THERAPEUTIC AGENT FOR OBSESSIVE-COMPULSIVE DISORDER 国立大学法人京都大学 2021-12-30 WO disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed
CN-1040982-A Nitragin (rhizoxin) derivative and as antineoplastic agent SANKYO CO (JP) 1990-04-04 CN disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed
EP-0214708-B1 GRISEOLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE SANKYO COMPANY LIMITED (JP) 1989-12-13 EP disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 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 (6 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-20220411449-A1 Method for Preparing Heteroleptic Triarylbismuthanes and Compounds Produced by the Same COASY, HAGH, MRM1 CYP1A2 642/4885CYP2A6 611/4885HTR2A 4394/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP1A2 148/4885CYP2A6 46/4885HTR2A 2670/4885
US-11254700-B2 GSK-3β inhibitors and use thereof in methods of treatment GSK3B, GSK3A, GSKIP CYP1A2 799/4885CYP2A6 877/4885HTR2A 3317/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI CYP1A2 254/4885CYP2A6 406/4885HTR2A 416/4885
US-20230322669-A1 METHOD FOR PRODUCING PYRROLE COMPOUND HPD, PPOX, CBR3 CYP1A2 191/4885CYP2A6 437/4885HTR2A 2083/4885
US-11649206-B2 Method for producing pyrrole compound HPD, PPOX, CBR3 CYP1A2 191/4885CYP2A6 437/4885HTR2A 2083/4885

“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.