SCHEMBL1690508

SCHEMBL1690508

Cc1cccc(NC(=O)c2cccc(CC(C)(C)C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ KCNK3 O14649 11/20 0.64
▸ KCNK9 Q9NPC2 9/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ RAB9A P51151 3/20 0.60
▸ HTT P42858 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ THRB P10828 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ FFAR1 O14842 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL18718185 0.88 MEN1 (0.63) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL1690509 0.88 NPC1 (0.57) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL1696311 0.85 MEN1 (0.70) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL13153531 0.85 KCNK3 (0.63) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL15676738 0.85 MEN1 (0.74) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL17052993 0.83 MEN1 (0.72) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL4253897 0.82 KCNK3 (0.93) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL1690510 0.81 MEN1 (0.66) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL21377635 0.80 KCNK3 (0.77) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL20064059 0.79 KCNK3 (0.77) MEN1KMT2ARXFP1KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 — — US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 — — US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 — — US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 — — US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 — — US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 — — US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 — — US 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 (5 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885RXFP1 408/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885RXFP1 408/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885RXFP1 408/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885RXFP1 408/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885RXFP1 408/4885

“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.

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