SCHEMBL6653833

SCHEMBL6653833

CCc1cc(Cl)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
ADORA2A P29274 1/20 0.36
CRHR1 P34998 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
FABP4 P15090 1/20 0.34
KMT2A Q03164 2/20 0.33
S1PR4 O95977 1/20 0.33
MEN1 O00255 1/20 0.33
NR4A2 P43354 1/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL17506423 0.85 NOS3 (0.43) NOS3NOS2CRHR1MAPTFABP4
SCHEMBL18506606 0.82 SMN1; SMN2 (0.42) ADORA2APOLBMAPTKMT2AMEN1
SCHEMBL31574144 0.80 NOTUM (0.38) CRHR1POLBMAPTKMT2AS1PR4
SCHEMBL11703961 0.80 MAPT (0.33) ADORA2ACRHR1POLBMAPTKMT2A
SCHEMBL17506403 0.80 ADORA2A (0.44) ADORA2APOLBMAPTKMT2AS1PR4
Hydrochloric Acid SCHEMBL9053873 0.80 SMN1; SMN2 (0.41) ADORA2APOLBMAPTKMT2AMEN1
SCHEMBL3713130 0.80 NOTUM (0.38) NOS3NOS2ADORA2APOLBMAPT
SCHEMBL5728846 0.80 NOTUM (0.38) CRHR1POLBMAPTKMT2AS1PR4
SCHEMBL10272045 0.79 NOS3 (0.39) NOS3NOS2CRHR1FABP4KMT2A
Hydrochloric Acid SCHEMBL17506448 0.78 ADORA2A (0.43) ADORA2APOLBMAPTKMT2AS1PR4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
CN-1158299-C 4-benzylaminoquinoline conjugates with bile acid and their heteroanalogues, method fo r producing the same, medicaments containing these compounds and their use ���ĵ�˹ҩ��¹����޹�˾ 2004-07-21 CN disclosed
EP-1218401-B1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA GMBH (DE) 2004-06-16 EP disclosed
CN-1374968-A 4-benzylaminoquinoline conjugates with bile acid and their heteroanalogues, method fo r producing the same, medicaments containing these compounds and their use AVENTIS PHARMA PEUTSCHLAND GMB (DE) 2002-10-16 CN disclosed
EP-1218401-A1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2002-07-03 EP disclosed
US-6339077-B1 FOR PROPHYLAXIS OR OF GALLSTONES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-15 US disclosed
WO-2001021642-A1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-03-29 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 (1 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-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 NOS3 1997/4885NOS2 2684/4885ADORA2A 3134/4885

“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.