SCHEMBL9966459

SCHEMBL9966459

COc1ccc(Oc2ccccc2)cc1NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.41
WNT3A P56704 2/20 0.40
MAP4K4 O95819 1/20 0.40
CFTR P13569 1/20 0.39
LPAR1 Q92633 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9966296 0.85 LMNA (0.53) POLBALDH1A1L3MBTL1MAP4K4LMNA
SCHEMBL9966515 0.84 LMNA (0.45) POLBALDH1A1L3MBTL1MAPK1MAP4K4
SCHEMBL9966577 0.83 POLB (0.42) POLBALDH1A1L3MBTL1MAPK1MAP4K4
SCHEMBL14325149 0.79 LMNA (0.57) POLBL3MBTL1LMNACYP2C9CYP2C19
SCHEMBL9966200 0.78 LMNA (0.58) SMN1; SMN2POLBALDH1A1MAP4K4LMNA
SCHEMBL9966279 0.78 LMNA (0.58) POLBALDH1A1L3MBTL1LMNACYP2C9
SCHEMBL9966215 0.77 MAP4K4 (0.51) SMN1; SMN2POLBALDH1A1L3MBTL1MAP4K4
SCHEMBL9966435 0.77 LMNA (0.59) POLBALDH1A1L3MBTL1MAP4K4LMNA
SCHEMBL9966439 0.77 MAPT (0.48) SMN1; SMN2POLBALDH1A1MAPK1LMNA
SCHEMBL9966314 0.76 WNT3A (0.47) ALDH1A1L3MBTL1MAPK1WNT3AMAP4K4

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 SMN1; SMN2 4543/4885POLB 1304/4885ALDH1A1 681/4885

“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.