SCHEMBL355576

SCHEMBL355576

Nc1ccc(C(=O)N2CCCC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MLYCD O95822 1/20 0.50
LRRK2 Q5S007 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 3/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL21962176 0.97 SMN1; SMN2 (0.55) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL348755 0.87 KMT2A (0.55) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL15651581 0.87 HPGD (0.56) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL8280049 0.86 PKM (0.57) HPGDKDM4EMEN1KMT2AMLYCD
SCHEMBL16982524 0.86 KMT2A (0.75) HPGDMEN1KMT2AHDAC1HDAC6
SCHEMBL1018987 0.86 SIGMAR1 (0.53) HPGDMEN1KMT2AHDAC1HDAC6
SCHEMBL13451259 0.84 HSD11B1 (0.52) HPGDALDH1A1MEN1KMT2AHDAC1
SCHEMBL2655426 0.84 KMT2A (0.73) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2956998 0.84 HPGD (0.62) HPGDALDH1A1KDM4ELRRK2L3MBTL3
SCHEMBL6838922 0.83 PLA2G7 (0.57) ALDH1A1MEN1KMT2AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 US disclosed
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP disclosed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2005111014-A1 SUBSTITUTED THIOPHEN-CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP 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 (3 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 HPGD 2709/4885ALDH1A1 4342/4885KDM4E 2725/4885
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 HPGD 2002/4885ALDH1A1 1676/4885KDM4E 3195/4885
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 HPGD 1564/4885ALDH1A1 1259/4885KDM4E 1256/4885

“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.