SCHEMBL7047648

SCHEMBL7047648

Cc1ccccc1NC1=NCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
CFB P00751 1/20 0.55
ADRA2B P18089 5/20 0.49
ADRA2C P18825 5/20 0.49
ADRA2A P08913 5/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7046036 0.87 TAAR1 (0.57) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL7048853 0.82 TAAR1 (0.52) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL11440748 0.81 TAAR1 (0.75) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL14380995 0.79 CFB (0.45) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL9558789 0.79 CFB (0.48) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL9559073 0.78 ADRA2A (0.47) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL7044957 0.78 TAAR1 (0.48) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL9788321 0.78 TAAR1 (0.48) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL9788340 0.78 CFB (0.50) TAAR1CFBADRA2BADRA2CADRA2A
SCHEMBL29385329 0.78 CFB (0.53) TAAR1CFBADRA2BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
EP-0724439-B1 USE OF 2-(2ALKYLPHENYLAMINO)OXAZOLINES AND -THIAZOLINES FOR THE MANUFACTURE OF A MEDICAMENT WITH ALPHA 2 ADRENERGIC EFFECT ALLERGAN SALES INC (US) 2003-04-09 EP disclosed
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 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 (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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 TAAR1 4680/4885CFB 172/4885ADRA2B 3436/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 TAAR1 4680/4885CFB 172/4885ADRA2B 3436/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 TAAR1 4680/4885CFB 172/4885ADRA2B 3436/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG TAAR1 3999/4885CFB 590/4885ADRA2B 2129/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 TAAR1 4680/4885CFB 172/4885ADRA2B 3436/4885

“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.