SCHEMBL429129

SCHEMBL429129

[CH2]C(=O)NCCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
CNR1 P21554 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
HSD11B1 P28845 1/20 0.56
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALOX15 P16050 1/20 0.54
NPC1 O15118 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL27263888 0.84 RAB9A (0.58) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL1694984 0.84 RAB9A (0.62) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL2755853 0.83 MAPK1 (0.60) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL7979851 0.83 RAB9A (0.57) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL48652 0.83 HRH3 (0.61) RAB9ACNR1HRH3HSD11B1LMNA
Hydrochloric Acid SCHEMBL7603529 0.83 RAB9A (0.61) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL30206599 0.83 MAPK1 (0.60) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL170486 0.83 RAB9A (0.57) RAB9ACNR1HRH3HSD11B1LMNA
SCHEMBL424553 0.82 SMN1; SMN2 (0.73) RAB9ALMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL12860332 0.82 RAB9A (0.56) RAB9ACNR1HRH3HSD11B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 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
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US claimed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 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
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-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE 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-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (7 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 RAB9A 2199/4885CNR1 3236/4885HRH3 272/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 RAB9A 2199/4885CNR1 3236/4885HRH3 272/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 RAB9A 3278/4885CNR1 2523/4885HRH3 3341/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 RAB9A 1183/4885CNR1 3185/4885HRH3 937/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 RAB9A 1077/4885CNR1 3420/4885HRH3 428/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 RAB9A 2199/4885CNR1 3236/4885HRH3 272/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 RAB9A 2199/4885CNR1 3236/4885HRH3 272/4885

“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.