SCHEMBL249717

SCHEMBL249717

COc1ccc2cccc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
MTNR1A P48039 8/20 0.51
HTR2A P28223 2/20 0.51
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLK1 P06870 1/20 0.49
PRSS1 P07477 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KEAP1 Q14145 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TDP2 O95551 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL29792825 1.00 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AHTR2AF2
Ethane SCHEMBL12612037 0.98 CYP1A2 (0.53) CYP1A2CYP2A6MTNR1AHTR2AF2
Hydrochloric Acid SCHEMBL10993696 0.98 CYP1A2 (0.53) CYP1A2CYP2A6MTNR1AHTR2AF2
Sulfuric Acid SCHEMBL9250308 0.90 MTNR1A (0.55) MTNR1AHTR2AALDH1A1KDM4EMEN1
SCHEMBL5746405 0.87 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AHTR2AF2
SCHEMBL5747140 0.87 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AHTR2AF2
Sulfuric Acid SCHEMBL9480703 0.86 MTNR1A (0.51) MTNR1AHTR2AALDH1A1KDM4EMEN1
SCHEMBL30881789 0.85 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AALDH1A1CYP3A4
SCHEMBL1806698 0.85 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9640549 0.83 CYP1A2 (0.53) CYP1A2CYP2A6MTNR1AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635582-A Magnetic copolymer, a method of manufacture and applications thereof ALCATEL ALSTHOM COMPAGNIE GENERALE D'ELECTRICITE (FR) 1997-06-03 US claimed
EP-0354093-B1 Piperazine derivatives and process for their preparation SYNTHELABO (FR) 1993-12-22 EP claimed
US-20240182503-A1 MACROCYCLE COMPLEMENT FACTOR B INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2024-06-06 US disclosed
CN-117865878-A Chiral indoline-3-one derivative and preparation method thereof 郑州大学 2024-04-12 CN disclosed
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
EP-4277982-A1 MACROCYCLE COMPLEMENT FACTOR B INHIBITORS Alexion Pharmaceuticals, Inc. (US) 2023-11-22 EP disclosed
CN-116848238-A Macrocyclic complement factor B inhibitors 阿雷克森制药公司 2023-10-03 CN disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230117271-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-04-20 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-5143916-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1992-09-01 US disclosed
US-5114816-A RADIATION-SENSITIVE COMPOUNDS, RADIATION-SENSITIVE MIXTURE PREPARED THEREWITH AND COPYING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-19 US disclosed
EP-0434561-A2 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-06-26 EP disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US disclosed
EP-0006217-B1 SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION, AND COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-31 EP disclosed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed
EP-0006217-A1 Substituted amino acids, their use and preparation, and compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1980-01-09 EP disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 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 (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-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS CYP1A2 4522/4885CYP2A6 4025/4885MTNR1A 3499/4885
US-20240182503-A1 MACROCYCLE COMPLEMENT FACTOR B INHIBITORS CFB, CFH, C9 CYP1A2 3979/4885CYP2A6 4125/4885MTNR1A 4749/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS CYP1A2 4522/4885CYP2A6 4025/4885MTNR1A 3499/4885
US-20230117271-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ODC1 CYP1A2 321/4885CYP2A6 1962/4885MTNR1A 3280/4885

“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.