SCHEMBL6288150

SCHEMBL6288150

COc1ccc(-c2cc3ccnnc3[nH]2)cc1NC(=O)N(S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RUVBL1 Q9Y265 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL6285019 0.89 ACLY (0.36) ACLYNPSR1ALDH1A1RUVBL1MEN1
SCHEMBL6279221 0.88 RIPK1 (0.52) RIPK1MAPK1
SCHEMBL6286360 0.85 ACLY (0.38) ACLYNPSR1ALDH1A1MEN1KMT2A
SCHEMBL6288126 0.85 AMY1A (0.40) ACLYNPSR1ALDH1A1RUVBL1MEN1
SCHEMBL6285928 0.85 KMT2A (0.39) ACLYNPSR1ALDH1A1MEN1KMT2A
SCHEMBL6286006 0.84 CCNB2 (0.44) ACLYNPSR1ALDH1A1RUVBL1MEN1
SCHEMBL6286958 0.83 F3 (0.43) ACLYNPSR1ALDH1A1MEN1KMT2A
SCHEMBL6288186 0.83 IRAK4 (0.38) ACLYNPSR1RIPK1ALDH1A1MEN1
SCHEMBL6496749 0.83 ALOX15 (0.48) ACLYNPSR1ALDH1A1MEN1KMT2A
SCHEMBL6504814 0.81 ACLY (0.38) ACLYNPSR1ALDH1A1MEN1KMT2A

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-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B ACLY 921/4885NPSR1 2303/4885RIPK1 2043/4885

“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.