SCHEMBL5873667

SCHEMBL5873667

CSc1ccc(C=CC(=O)Nc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
MEN1 O00255 3/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 1/20 0.41
ALPG P10696 1/20 0.41
TP53 P04637 1/20 0.40
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
SCHEMBL5873662 1.00 MCHR1 (0.50) MCHR1MEN1NPC1KMT2ARAB9A
SCHEMBL5873544 0.91 MCHR1 (0.50) MCHR1MAPTTP53
SCHEMBL5873551 0.91 MCHR1 (0.50) MCHR1MAPTTP53
SCHEMBL5873489 0.88 MCHR1 (0.52) MCHR1MAPT
SCHEMBL5873494 0.88 MCHR1 (0.52) MCHR1MAPT
SCHEMBL5873617 0.88 MCHR1 (0.56) MCHR1NPC1RAB9AMAPTTP53
SCHEMBL5873643 0.88 MAPT (0.55) MCHR1MEN1NPC1KMT2ARAB9A
SCHEMBL5873637 0.88 MAPT (0.55) MCHR1MEN1NPC1KMT2ARAB9A
SCHEMBL5873621 0.88 MCHR1 (0.56) MCHR1NPC1RAB9AMAPTTP53
SCHEMBL5873688 0.86 MCHR1 (0.55) MCHR1MEN1NPC1KMT2ARAB9A

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 1/4885MEN1 509/4885NPC1 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.