SCHEMBL249648

SCHEMBL249648

CCCCCNc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.66
GPR84 Q9NQS5 7/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RIPK1 Q13546 2/20 0.40
BCHE P06276 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
POLA1 P09884 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8535455 0.99 XDH (0.67) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL2623143 0.96 XDH (0.65) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL26174316 0.90 XDH (0.53) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL10047127 0.86 XDH (0.51) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL16205209 0.85 XDH (0.50) XDHGPR84KDM4EALDH1A1
SCHEMBL5062459 0.84 XDH (0.46) XDHKDM4EALDH1A1POLA1POLB
SCHEMBL23133118 0.84 XDH (0.48) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL10047126 0.83 XDH (0.50) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL1965514 0.83 XDH (0.47) XDHGPR84KDM4EALDH1A1RIPK1
SCHEMBL21183279 0.81 XDH (0.44) XDHKDM4EALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION VDF FUTURECEUTICALS, INC. (US) 2009-08-13 US claimed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 US claimed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO claimed
WO-2012047630-A3 N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE TEINTZE MARTIN (US) 2012-06-21 WO disclosed
WO-2012047630-A2 N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE TEINTZE MARTIN (US) 2012-04-12 WO disclosed
US-8088752-B2 Methods for metabolic modulation VDF FUTURECEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20090208620-A1 Alimentary Compositions and Methods For Metabolic Modulation VDF FUTURECEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION VDF FUTURECEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20070184067-A1 Alimentary compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-08-09 US disclosed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 US disclosed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO disclosed
WO-2005016268-A2 ALIMENTARY COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-02-24 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 (2 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-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation GPR119, PRKAG2, PRKAG1 XDH 734/4885GPR84 761/4885KDM4E 4093/4885
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION GPR119, PRKAG2, GCKR XDH 726/4885GPR84 737/4885KDM4E 4031/4885

“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.