SCHEMBL6285043

SCHEMBL6285043

COc1ccc(-c2cc3c([nH]2)CCCC3)cc1NC(=O)N(S)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ACLY P53396 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.36
RUVBL1 Q9Y265 1/20 0.35
POLB P06746 2/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL6496749 0.80 ALOX15 (0.48) ACLYNPSR1MEN1KMT2AALDH1A1
SCHEMBL6285038 0.79 KMT2A (0.49) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL6286006 0.79 CCNB2 (0.44) ACLYNPSR1MEN1KMT2AALDH1A1
SCHEMBL6286360 0.79 ACLY (0.38) ACLYNPSR1MEN1KMT2AALDH1A1
SCHEMBL6504814 0.78 ACLY (0.38) LMNAACLYNPSR1MEN1KMT2A
SCHEMBL6279221 0.78 RIPK1 (0.52) IGF1R
SCHEMBL6288150 0.78 ACLY (0.37) ACLYNPSR1MEN1KMT2AALDH1A1
SCHEMBL6285019 0.77 ACLY (0.36) LMNAACLYNPSR1MEN1KMT2A
SCHEMBL6285928 0.77 KMT2A (0.39) ACLYNPSR1MEN1KMT2AALDH1A1
SCHEMBL6288186 0.77 IRAK4 (0.38) ACLYNPSR1MEN1KMT2AALDH1A1

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 7 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
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO 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 LMNA 1925/4885ACLY 921/4885NPSR1 2303/4885

“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.