SCHEMBL8380313

SCHEMBL8380313

CSc1nc(-c2ccccc2)[nH]c(=O)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.65
ALDH1A1 P00352 5/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
RXFP1 Q9HBX9 2/20 0.63
PPARG P37231 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
GAA P10253 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.49
XDH P47989 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8347394 0.82 KMT2A (0.61) HPGDALDH1A1CYP1A2CYP2C9RXFP1
SCHEMBL5809667 0.81 HPGD (0.70) HPGDALDH1A1CYP1A2CYP2C9RXFP1
SCHEMBL19665221 0.79 HPGD (1.00) HPGDALDH1A1CYP1A2CYP2C9RXFP1
SCHEMBL213872 0.77 GAA (0.57) HPGDALDH1A1CYP2C9RXFP1PPARG
SCHEMBL10271853 0.77 GAA (0.70) HPGDALDH1A1RXFP1PPARGNCOR2
SCHEMBL16772576 0.75 RXFP1 (0.95) HPGDALDH1A1CYP1A2CYP2C9RXFP1
SCHEMBL7901099 0.74 MAPT (0.48) HPGDALDH1A1CYP1A2CYP2C9RXFP1
SCHEMBL10466353 0.73 GAA (1.00) HPGDALDH1A1RXFP1PPARGNCOR2
SCHEMBL15448702 0.71 RXFP1 (0.52) HPGDALDH1A1CYP1A2CYP2C9RXFP1
SCHEMBL9543700 0.71 SMN1; SMN2 (0.64) HPGDALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S HPGD 1364/4885ALDH1A1 825/4885CYP1A2 448/4885

“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.