SCHEMBL5873524

SCHEMBL5873524

CCc1ccc(NC(=O)Nc2ccc3nc(N4CCC(NS(C)(=O)=O)C4)ccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.57
PDE10A Q9Y233 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5873487 0.85 MCHR1 (0.57) MCHR1NPC1RAB9AEPHX2
SCHEMBL5873547 0.83 MCHR1 (0.52) MCHR1NPC1RAB9A
SCHEMBL5873745 0.80 MCHR1 (0.87) MCHR1
SCHEMBL5873704 0.76 MCHR1 (0.62) MCHR1NPC1RAB9AEPHX2MEN1
SCHEMBL5873795 0.75 MCHR1 (0.61) MCHR1
SCHEMBL5873794 0.75 MCHR1 (0.61) MCHR1
SCHEMBL5873663 0.74 MCHR1 (0.63) MCHR1NPC1RAB9AEPHX2MEN1
SCHEMBL5873657 0.70 MCHR1 (0.61) MCHR1
SCHEMBL5873506 0.69 MCHR1 (0.65) MCHR1
SCHEMBL5873647 0.69 MCHR1 (0.87) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US claimed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US claimed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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 (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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885PDE10A 1245/4885NPC1 1593/4885

“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.