SCHEMBL4259484

SCHEMBL4259484

CCCc1cc(OC)c2cc(NC(C)=O)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.62
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
ELANE P08246 1/20 0.46

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
SCHEMBL6202420 0.92 MCHR1 (0.54) MCHR1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4269277 0.84 MCHR1 (0.53) MCHR1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL4258680 0.82 MCHR1 (0.70) MCHR1
SCHEMBL3738216 0.81 DOT1L (0.57) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL31672140 0.81 DOT1L (0.57) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL6204138 0.80 MCHR1 (0.50) MCHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6203236 0.76 MCHR1 (0.49) MCHR1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL6203321 0.76 HSD17B2 (0.51) MCHR1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL23385627 0.75 MCHR1 (0.47) MCHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6199601 0.75 MCHR1 (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012061-A1 A Method of Treating Cancer MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 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 (2 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-20090012061-A1 A Method of Treating Cancer KIF5B, MKI67, KIF2C MCHR1 2332/4885SMN1; SMN2 3714/4885KDM4E 885/4885
US-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885SMN1; SMN2 201/4885KDM4E 480/4885

“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.