SCHEMBL1395778

SCHEMBL1395778

NC(=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
TAAR1 Q96RJ0 3/20 0.56
MAPK8 P45983 1/20 0.56
SLC6A4 P31645 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 2/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CMA1 P23946 1/20 0.51
CYP2D6 P10635 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.51
HDAC3 O15379 1/20 0.50

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 SCHEMBL6296149 0.98 CYP3A4 (0.66) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL3525050 0.89 ALDH1A1 (0.59) CYP3A4ALDH1A1CYP1A2CYP2C19MAPK8
SCHEMBL30232460 0.88 CYP3A4 (0.62) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL30232548 0.86 CYP3A4 (0.51) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL658682 0.86 ALDH1A1 (0.52) CYP3A4ALDH1A1CYP1A2CYP2C19MAPK8
SCHEMBL7148530 0.85 CYP3A4 (0.72) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL3944098 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL29642680 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL138875 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1
SCHEMBL300007 0.83 TAAR1 (0.62) CYP3A4ALDH1A1CYP1A2CYP2C19TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12458624-B2 Deuterium-enriched substituted phenoxyphenyl acetic acids and acylsulfonamides DHANOA DALJIT SINGH (US) 2025-11-04 US claimed
US-11634428-B2 Deuterated angiotensin-converting enzyme-2 (ACE-2) inhibitors DHANOA DALJIT SINGH (US) 2023-04-25 US claimed
US-20230039319-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES DHANOA DALJIT SINGH (US) 2023-02-09 US claimed
US-20220306646-A1 Deuterated Angiotensin-Converting Enzyme-2 (ACE-2) Inhibitors DHANOA DALJIT SINGH (US) 2022-09-29 US claimed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 US claimed
EP-1904439-B1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTHECHNOLOGY CORP (US) 2014-11-26 EP claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

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

For each of this compound's patents that has machine-readable text (9 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-11634428-B2 Deuterated angiotensin-converting enzyme-2 (ACE-2) inhibitors ACE2, ACE, REN CYP3A4 127/4885ALDH1A1 856/4885CYP1A2 88/4885
US-20230039319-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES AGTR2, AGTR1, EDNRA CYP3A4 2346/4885ALDH1A1 2247/4885CYP1A2 1388/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 CYP3A4 1268/4885ALDH1A1 2432/4885CYP1A2 749/4885
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 CYP3A4 4465/4885ALDH1A1 2654/4885CYP1A2 3594/4885
US-12458624-B2 Deuterium-enriched substituted phenoxyphenyl acetic acids and acylsulfonamides AGTR2, AGTR1, EDNRA CYP3A4 2346/4885ALDH1A1 2247/4885CYP1A2 1388/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CYP3A4 554/4885ALDH1A1 123/4885CYP1A2 492/4885
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF CLPP, LRRK2, MYB CYP3A4 1974/4885ALDH1A1 3907/4885CYP1A2 1085/4885
US-20220306646-A1 Deuterated Angiotensin-Converting Enzyme-2 (ACE-2) Inhibitors ACE2, ACE, REN CYP3A4 127/4885ALDH1A1 856/4885CYP1A2 88/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CYP3A4 632/4885ALDH1A1 170/4885CYP1A2 710/4885

“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.