SCHEMBL1196746

SCHEMBL1196746

[CH2]c1cccc(C(=O)N(C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL1195997 0.82 ERN1 (0.46) KMT2AMEN1HPGDTDP1
SCHEMBL22318570 0.81 CA12 (0.50) KMT2AMEN1GAA
SCHEMBL18175980 0.79 PBRM1 (0.49) KMT2AMEN1TDP1ITKADORA3
SCHEMBL13412201 0.79 CES2 (0.53) KMT2AMEN1HPGDOPRM1OPRL1
SCHEMBL1197189 0.79 KMT2A (0.46) KMT2AMEN1HPGDTDP1ITK
SCHEMBL394512 0.77 HSD11B1 (0.53) KMT2AHDAC4HPGDHSD11B1
SCHEMBL12852594 0.77 HTT (0.44) KMT2AMEN1HTT
SCHEMBL20888517 0.77 HTT (0.44) KMT2AMEN1TDP1L3MBTL1HSD17B10
SCHEMBL1692133 0.77 KMT2A (0.47) KMT2AMEN1HPGDTDP1ADORA3
SCHEMBL14319078 0.77 CES2 (0.59) KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 — — EP claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 — — US claimed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 — — US claimed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 — — US claimed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 — — US claimed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 — — EP claimed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 — — US claimed
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 — — CN claimed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — US claimed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 — — US claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 — — US claimed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 — — WO claimed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 — — EP claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 — — EP claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 — — US claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KMT2A 235/4885MEN1 1706/4885HDAC4 1493/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KMT2A 235/4885MEN1 1706/4885HDAC4 1493/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 KMT2A 2659/4885MEN1 1635/4885HDAC4 3319/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 KMT2A 2045/4885MEN1 764/4885HDAC4 1481/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 KMT2A 1776/4885MEN1 592/4885HDAC4 2106/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KMT2A 235/4885MEN1 1706/4885HDAC4 1493/4885

“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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