SCHEMBL9966396

SCHEMBL9966396

CC(C)(C)c1cccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAP4K4 O95819 1/20 0.43
HDAC1 Q13547 6/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LIMK2 P53671 1/20 0.41
POLB P06746 1/20 0.40
AKT1 P31749 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 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
SCHEMBL9966437 0.88 HDAC1 (0.53) LMNAHDAC1NPC1MAPTCYP2C9
SCHEMBL9966262 0.86 LMNA (0.49) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL9966210 0.85 LMNA (0.43) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL9966316 0.84 LMNA (0.47) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL14315160 0.84 MAP4K4 (0.44) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL9966517 0.84 HDAC1 (0.44) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL9966513 0.83 HDAC1 (0.43) MAP4K4HDAC1MAPTCYP2C9CYP2C19
SCHEMBL9966515 0.82 LMNA (0.45) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL9966205 0.82 TEK (0.47) LMNAMAP4K4HDAC1NPC1MAPT
SCHEMBL9966435 0.82 LMNA (0.59) LMNAMAP4K4HDAC1NPC1MAPT

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-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 LMNA 351/4885MAP4K4 3244/4885HDAC1 1448/4885

“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.