SCHEMBL77918

SCHEMBL77918

Nc1ccc(-n2ccncc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
F10 P00742 4/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP19A1 P11511 2/20 0.36
MAPK14 Q16539 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 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
SCHEMBL29683214 0.82 BCHE (0.43) LMNAALDH1A1SMN1; SMN2F10CYP19A1
SCHEMBL8266914 0.81 F2 (0.42) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL16361758 0.80 SMN1; SMN2 (0.46) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL4748205 0.77 NR4A1 (0.53) MAPTALDH1A1HTTSMN1; SMN2MKNK1
SCHEMBL1027558 0.76 MAPT (0.36) MAPTALDH1A1ALOX15HTTATM
SCHEMBL27338916 0.75 CYP2A6 (0.44) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL85530 0.75 CDC7 (0.46) MAPTHTTCYP19A1MEN1KMT2A
SCHEMBL1675775 0.75 TBXAS1 (0.45) F10MAPK14
SCHEMBL18011080 0.73 MAPT (0.48) MAPTLMNAALDH1A1ALOX15HTT
SCHEMBL8337902 0.73 CYP2A6 (0.49) ALDH1A1HTTF10CYP19A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-9714232-B2 Substituted piperazine compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-07-25 US disclosed
US-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-25 US disclosed
CN-104725359-A Substituted piperazine compound as well as application method and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (4 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-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof HTR5A, HTR2A, HTR2C MAPT 1187/4885LMNA 3310/4885ALDH1A1 996/4885
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 MAPT 4847/4885LMNA 141/4885ALDH1A1 1259/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 MAPT 4843/4885LMNA 450/4885ALDH1A1 2287/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 MAPT 4360/4885LMNA 2132/4885ALDH1A1 489/4885

“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.