SCHEMBL5873531

SCHEMBL5873531

CC(C)Nc1ccc2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MCHR1 Q99705 7/20 0.52
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL5873535 1.00 CA12 (0.53) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873562 0.87 MCHR1 (0.60) CA12CA9MCHR1
SCHEMBL5873565 0.87 MCHR1 (0.60) CA12CA9MCHR1
SCHEMBL5873602 0.85 MCHR1 (0.59) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873595 0.85 MCHR1 (0.59) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873753 0.83 MCHR1 (0.57) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873748 0.83 MCHR1 (0.57) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873696 0.82 MCHR1 (0.62) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873702 0.82 MCHR1 (0.62) CA12CA9MCHR1MMP1MMP2
SCHEMBL5873610 0.81 MCHR1 (0.65) CA12CA9MCHR1MMP1MMP2

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 CA12 4711/4885CA9 4822/4885MCHR1 1/4885

“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.