SCHEMBL7115674

SCHEMBL7115674

NC(=O)c1c2n(c3c(=O)[nH]cnc13)CCCCC2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
POLB P06746 1/20 0.48
ABCC1 P33527 4/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 4/20 0.38
KDM5B Q9UGL1 1/20 0.38
PNP P00491 1/20 0.37
IP6K1 Q92551 3/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7119569 0.86 HTT (0.44) HTTPOLBABCC1CYP3A4ALDH1A1
SCHEMBL7118898 0.76 HTT (0.97) HTTPOLBABCC1ALDH1A1CYP1A2
SCHEMBL6920444 0.76 HTT (0.97) HTTPOLBABCC1ALDH1A1CYP1A2
SCHEMBL6919069 0.74 HTT (1.00) HTTPOLBABCC1ALDH1A1CYP1A2
SCHEMBL6922033 0.70 HTT (0.92) HTTABCC1ALDH1A1CYP1A2CYP2C9
SCHEMBL6918782 0.68 HTT (0.53) HTTPOLBABCC1ALDH1A1CYP1A2
SCHEMBL7119514 0.65 POLB (0.55) HTTPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL10423622 0.63 ALDH1A1 (0.45) HTTABCC1CYP3A4ALDH1A1MAPK1
SCHEMBL30250480 0.62 DHODH (0.46) ALDH1A1MAPK1GAATSHR
SCHEMBL7115705 0.61 HTT (0.71) HTTABCC1ALDH1A1CYP1A2CYP2C9

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-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP HTT 2576/4885POLB 2870/4885ABCC1 1351/4885

“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.