SCHEMBL9966265

SCHEMBL9966265

Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc(N)nc5)cc4)CCOCC3)nc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABL1 P00519 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAP4K4 O95819 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
CTPS1 P17812 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL9966438 0.92 ABL1 (0.43) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9940475 0.91 HDAC1 (0.43) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9966562 0.89 MAP4K4 (0.44) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9966392 0.88 HDAC1 (0.48) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9966541 0.87 HDAC1 (0.42) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL14244013 0.87 HPGD (0.41) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9940268 0.86 MAP4K4 (0.44) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9966464 0.85 ABL1 (0.47) HDAC1ALDH1A1ABL1HPGDKDM4E
SCHEMBL14246403 0.84 PIK3CA (0.40) HDAC1ALDH1A1USP2TSHRHSD17B10
SCHEMBL9966393 0.84 HDAC1 (0.46) HDAC1ALDH1A1HPGDKDM4EMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S HDAC1 1448/4885ALDH1A1 681/4885USP2 3872/4885

“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.