SCHEMBL7122779

SCHEMBL7122779

S=c1[nH]cnc2c(-c3nn[nH]n3)c3n(c12)CCCCC3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.39
AGTR1 P30556 4/20 0.33
AGTR2 P50052 4/20 0.33
POLB P06746 1/20 0.32
ABCC1 P33527 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7115705 0.72 HTT (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL7119641 0.72 HTT (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL7128300 0.71 HTT (0.73) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL7119569 0.71 HTT (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL7122760 0.62 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL6920444 0.58 HTT (0.97) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL7118898 0.58 HTT (0.97) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL6918782 0.58 HTT (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL6919069 0.56 HTT (1.00) ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL32665703 0.52 ADH5 (0.43) ALDH1A1POLBRXFP1

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 ALDH1A1 3164/4885CYP1A2 1893/4885CYP2C9 2417/4885

“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.