SCHEMBL30768403

SCHEMBL30768403

c1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 4/20 1.00
IDO1 P14902 3/20 1.00
MAPK10 P53779 2/20 1.00
GAA P10253 2/20 1.00
TTK P33981 2/20 1.00
HPGD P15428 2/20 1.00
ALPL P05186 1/20 1.00
NPC1 O15118 1/20 0.75
TP53 P04637 1/20 0.75
RAB9A P51151 1/20 0.75
MAP2K4 P45985 3/20 0.68
LRRK2 Q5S007 2/20 0.67
AURKA O14965 1/20 0.65
MAPK1 P28482 1/20 0.62
MAPKAPK3 Q16644 1/20 0.62
MAPK6 Q16659 1/20 0.62
DCLK1 O15075 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61

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
SCHEMBL855531 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL17178615 0.96 ALDH1A1 (0.92) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL27968462 0.92 ALDH1A1 (0.85) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL1672674 0.88 IDO1 (0.78) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL18977088 0.86 TTK (0.75) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL10533662 0.85 IDO1 (0.74) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL19597646 0.85 TTK (0.72) ALDH1A1KDM4EIDO1MAPK10GAA
Propionic Acid SCHEMBL4552403 0.84 KDM4E (0.71) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL5377572 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL4480025 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EIDO1MAPK10GAA

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-20230382926-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF THE WEST INDIES (TT) 2023-11-30 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-20230382926-A1 COMPOUNDS AND USES THEREOF CFTR, CCL11, CEL ALDH1A1 1002/4885KDM4E 4211/4885IDO1 1547/4885

“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.