SCHEMBL3851928

SCHEMBL3851928

Nc1cc2c3c(cc(N)cc3c1)C(=O)N(CCCC(=O)O)C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
CASP1 P29466 2/20 0.68
HSD17B10 Q99714 2/20 0.68
GAA P10253 1/20 0.68
KDM4E B2RXH2 3/20 0.47
CYP2D6 P10635 1/20 0.47
FTO Q9C0B1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
AHR P35869 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.45
CASP7 P55210 1/20 0.45
CYP1A2 P05177 1/20 0.45
TNNI3 P19429 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL4143779 0.92 MEN1 (0.59) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL3855322 0.91 MEN1 (0.55) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL3850365 0.90 MEN1 (0.76) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL3862952 0.81 TNF (0.51) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL25358575 0.81 HSD17B10 (1.00) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL28781798 0.80 MEN1 (0.54) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL28781796 0.80 HEXA (0.56) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL3851755 0.78 CYP2D6 (0.46) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL3850344 0.78 CYP2D6 (0.46) MEN1KMT2ACASP1HSD17B10GAA
SCHEMBL3851692 0.78 MEN1 (0.56) MEN1KMT2ACASP1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US claimed
EP-1931637-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2008-06-18 EP claimed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US claimed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
EP-1931637-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2008-06-18 EP disclosed
US-20070123514-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-05-31 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030939-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 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-20070123514-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 MEN1 3865/4885KMT2A 4267/4885CASP1 2979/4885
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 MEN1 3865/4885KMT2A 4267/4885CASP1 2979/4885

“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.