SCHEMBL7126240

SCHEMBL7126240

N#Cc1c(N)c(C(=O)O)n2c1CCCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
MAPK1 P28482 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 3/20 0.45
KMT2A Q03164 1/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.39
CDK2 P24941 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCC1 P33527 2/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL6918168 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2RXFP1KMT2A
SCHEMBL6819330 0.79 ALDH1A1 (0.98) ALDH1A1MAPK1SMN1; SMN2RXFP1KMT2A
SCHEMBL18292476 0.62 RXFP1 (1.00) ALDH1A1MAPK1RXFP1HTTHSD17B10
SCHEMBL4789817 0.62 GRIA4 (0.54) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL13772455 0.60 HSD17B10 (0.60) ALDH1A1MAPK1SMN1; SMN2KMT2AHDAC6
SCHEMBL21378233 0.58 KMT2A (0.44) ALDH1A1MAPK1SMN1; SMN2KMT2AHTT
SCHEMBL21056714 0.57 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AHDAC6ABCC1
SCHEMBL21869103 0.57 ALDH1A1 (0.37) ALDH1A1MAPK1HTTHSD17B10
SCHEMBL10509477 0.55 LMNA (0.33) ALDH1A1SMN1; SMN2HTT
SCHEMBL14537942 0.55 LMNA (0.33) ALDH1A1SMN1; SMN2HTT

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 3164/4885MAPK1 130/4885SMN1; SMN2 745/4885

“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.