SCHEMBL81394

SCHEMBL81394

O=C(CCc1cccnc1)NCCCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
C3AR1 Q16581 5/20 0.47
NAMPT P43490 3/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL82430 1.00 PTAFR (0.49) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL81910 0.99 PTAFR (0.50) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL3079286 0.97 PTAFR (0.48) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL83930 0.96 LMNA (0.49) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5557428 0.94 DRD2 (0.48) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL82722 0.94 PTAFR (0.56) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL83847 0.93 LMNA (0.51) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5557508 0.89 NAMPT (0.47) PTAFRLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL82837 0.88 PTAFR (0.53) PTAFRLMNAALDH1A1C3AR1NAMPT
SCHEMBL5393999 0.87 C3AR1 (0.51) PTAFRLMNAALDH1A1C3AR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 2011-01-05 JP claimed
JP-4599062-B2 2010-12-15 JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
JP-2005528361-A 2005-09-22 JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP claimed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP claimed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US claimed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP claimed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 PTAFR 686/4885LMNA 4352/4885ALDH1A1 216/4885
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis FLT1, VEGFA, FLT4 PTAFR 47/4885LMNA 3601/4885ALDH1A1 689/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 PTAFR 768/4885LMNA 4311/4885ALDH1A1 168/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT PTAFR 1637/4885LMNA 3496/4885ALDH1A1 1385/4885

“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.