SCHEMBL392939

SCHEMBL392939

CCOC(=O)Cc1ccc(C(=O)CBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.55
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP4Z1 Q86W10 1/20 0.49
PTPN1 P18031 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TRPA1 O75762 1/20 0.47
HPGD P15428 1/20 0.44

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
SCHEMBL15955709 0.86 KMT2A (0.60) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL3934590 0.84 CYP4F2 (0.64) GSK3BKMT2AMAPTLMNACYP4Z1
SCHEMBL68851 0.84 CYP4Z1 (0.62) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL7335258 0.83 THRA (0.51) GSK3BKMT2AMAPTLMNASMN1; SMN2
SCHEMBL8479488 0.83 GSK3B (0.58) GSK3BKMT2AMAPTLMNASMN1; SMN2
SCHEMBL1124344 0.82 CYP4Z1 (0.54) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
Hydrochloric Acid SCHEMBL11655187 0.82 LMNA (0.50) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL8610840 0.81 MAPK1 (0.54) GSK3BKMT2AMAPTLMNACYP4Z1
SCHEMBL6393097 0.81 ALDH1A1 (0.57) KMT2AMAPTLMNASMN1; SMN2CYP4Z1
SCHEMBL2170299 0.81 CA12 (0.61) KMT2AMAPTLMNASMN1; SMN2CYP4Z1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
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
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP 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-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-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 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
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
EP-1773786-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO disclosed
US-20050282805-A1 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 2005-12-22 US disclosed
US-6028080-A Quinolin-2-(1H)-ones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-22 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 GSK3B 846/4885KMT2A 2123/4885MAPT 4157/4885
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 GSK3B 846/4885KMT2A 2123/4885MAPT 4157/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 GSK3B 846/4885KMT2A 2123/4885MAPT 4157/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 GSK3B 846/4885KMT2A 2123/4885MAPT 4157/4885
US-20050282805-A1 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 F11, TFPI, F12 GSK3B 1316/4885KMT2A 290/4885MAPT 3851/4885

“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.