SCHEMBL1386995

SCHEMBL1386995

[NH]C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.58
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL11336993 0.81 HPGDS (0.57) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL24575947 0.81 HPGDS (0.57) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL1694742 0.81 LMNA (0.60) HPGDSALDH1A1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL5883141 0.79 LMNA (0.58) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL1950131 0.78 HSD17B10 (0.59) ALDH1A1KMT2AHPGDLMNAMEN1
SCHEMBL425361 0.77 ALDH1A1 (0.58) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL1386996 0.77 LMNA (0.79) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL425360 0.77 HPGDS (0.53) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL13324507 0.77 HPGDS (0.53) HPGDSALDH1A1KMT2AHPGDLMNA
SCHEMBL1799045 0.77 HPGDS (0.53) HPGDSALDH1A1KMT2AHPGDLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838934-B2 2011-12-14 JP claimed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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 (1 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT HPGDS 466/4885ALDH1A1 1385/4885KMT2A 2179/4885

“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.