SCHEMBL9966205

SCHEMBL9966205

Cc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.47
LMNA P02545 1/20 0.45
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
IDO1 P14902 4/20 0.43
HDAC1 Q13547 3/20 0.42
TP53 P04637 1/20 0.41
CYP2C9 P11712 5/20 0.41
MAP4K4 O95819 1/20 0.41
THRB P10828 1/20 0.40
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 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
SCHEMBL9966302 0.88 TP53 (0.54) TEKLMNAKDREPHB4IDO1
SCHEMBL9966443 0.83 MAP4K4 (0.42) TEKIDO1HDAC1TP53CYP2C9
SCHEMBL9966261 0.83 HIF1A (0.46) TEKHDAC1TP53MAP4K4THRB
SCHEMBL9966396 0.82 LMNA (0.43) LMNAHDAC1CYP2C9MAP4K4CYP2C19
SCHEMBL9966304 0.82 HDAC1 (0.45) TEKLMNAKDREPHB4IDO1
SCHEMBL9966206 0.82 IDO1 (0.49) LMNAIDO1HDAC1TP53CYP2C9
SCHEMBL9966437 0.82 HDAC1 (0.53) LMNAIDO1HDAC1TP53CYP2C9
SCHEMBL9966313 0.81 HDAC1 (0.47) TEKLMNAKDREPHB4IDO1
SCHEMBL14315772 0.81 LMNA (0.48) LMNAIDO1HDAC1CYP2C9MAP4K4
SCHEMBL9966227 0.80 HDAC1 (0.42) TEKLMNAIDO1HDAC1CYP2C9

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 TEK 1817/4885LMNA 351/4885KDR 2192/4885

“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.