SCHEMBL583647

SCHEMBL583647

OC1[CH]c2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
ANPEP P15144 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAU P00749 1/20 0.31

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
SCHEMBL1040813 1.00 IDO1 (0.38) IDO1ANPEPCA1CA2KDM4E
SCHEMBL151547 1.00 IDO1 (0.38) IDO1ANPEPCA1CA2KDM4E
SCHEMBL1143179 0.77 PARP1 (0.36) IDO1ANPEPCA1CA2CYP2D6
SCHEMBL15233622 0.77 PARP1 (0.36) IDO1ANPEPCA1CA2CYP2D6
SCHEMBL23457245 0.71 IDO1 (0.38) IDO1CA1CA2KDM4EL3MBTL1
SCHEMBL6143052 0.71 IDO1 (0.43) IDO1ANPEPPLAU
SCHEMBL17765425 0.71 IDO1 (0.38) IDO1CA1CA2KDM4EL3MBTL1
SCHEMBL1702930 0.71 CYP19A1 (0.39) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL22554804 0.71 CYP19A1 (0.39) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL2853835 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP claimed
CN-114380823-B Imidazole-2-methylamine derivative and medical application thereof 中国药科大学 2023-06-23 CN claimed
US-10968216-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2021-04-06 US claimed
EP-3621619-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN Arena Pharmaceuticals, Inc. (US) 2020-03-18 EP claimed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US claimed
CN-110709085-A Compounds and methods for treating visceral pain 艾尼纳制药公司 2020-01-17 CN claimed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US claimed
WO-2018208848-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN ARENA PHARMACEUTICALS, INC. (US) 2018-11-15 WO claimed
WO-2018208847-A1 COMPOUNDS AND METHODS FOR TREATMENT OF PAIN FROM INFLAMMATORY BOWEL DISEASE ARENA PHARMACEUTICALS, INC. (US) 2018-11-15 WO claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
WO-2003040107-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 WO claimed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 US claimed
US-6498238-B1 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERSITY 2002-12-24 US claimed
WO-2002074719-A2 INHIBITORS OF PLASMEPSINS THE JOHNS HOPKINS UNIVERSITY (US) 2002-09-26 WO claimed
WO-2000069893-A1 GLYCOPEPTIDE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF USING SAME MERCK & CO., INC. (US) 2000-11-23 WO claimed
EP-0541168-B1 HIV protease inhibitors useful for the treatment of aids MERCK & CO INC (US) 1998-03-11 EP claimed
US-5444062-A Quinazolines derivatives for enhancing antitumor activity PFIZER INC. (US) 1995-08-22 US claimed
EP-0556310-B1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER (US) 1995-07-05 EP claimed
EP-0556310-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY. PFIZER (US) 1993-08-25 EP claimed
WO-1992007844-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1992-05-14 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 (3 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-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 IDO1 212/4885ANPEP 2194/4885CA1 114/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 IDO1 1290/4885ANPEP 4731/4885CA1 1259/4885
US-10968216-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 IDO1 1283/4885ANPEP 4652/4885CA1 4861/4885

“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.