SCHEMBL31023288

SCHEMBL31023288

Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(N)cc3)c(O)c2n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.83
TP53 P04637 4/20 0.83
KDM4E B2RXH2 3/20 0.83
LMNA P02545 3/20 0.83
HTT P42858 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
POLB P06746 1/20 0.70
GAA P10253 2/20 0.70
HPGD P15428 2/20 0.70
ALOX12 P18054 2/20 0.70
HSD17B10 Q99714 2/20 0.70
USP2 O75604 1/20 0.70
ALOX15 P16050 1/20 0.70
CASP1 P29466 1/20 0.70
MCL1 Q07820 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ESR2 Q92731 1/20 0.70
P4HB P07237 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ALDH1A1 P00352 1/20 0.64

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
SCHEMBL2153135 0.92 MAPT (0.85) MAPTTP53KDM4ELMNAHTT
SCHEMBL13836495 0.91 MAPT (0.87) MAPTTP53KDM4ELMNAHTT
SCHEMBL13836369 0.91 MAPT (0.87) MAPTTP53KDM4ELMNAHTT
SCHEMBL2153142 0.91 MAPT (1.00) MAPTTP53KDM4ELMNAHTT
SCHEMBL31023243 0.91 MAPT (1.00) MAPTTP53KDM4ELMNAHTT
SCHEMBL6721108 0.89 MAPT (0.83) MAPTTP53KDM4ELMNAHTT
SCHEMBL2153383 0.89 MAPT (0.83) MAPTTP53KDM4ELMNAHTT
SCHEMBL2153056 0.89 MAPT (0.83) MAPTTP53KDM4ELMNAHTT
SCHEMBL31023222 0.89 MAPT (0.87) MAPTTP53KDM4ELMNAHTT
SCHEMBL2153302 0.87 MAPT (0.80) MAPTTP53KDM4ELMNAHTT

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-20240299400-A1 Transcription Factor GLI1 Inhibitors and Uses Thereof UNIVERSITY OF CONNECTICUT (US) 2024-09-12 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-20240299400-A1 Transcription Factor GLI1 Inhibitors and Uses Thereof GLI1, GLI2, SHH MAPT 3866/4885TP53 290/4885KDM4E 588/4885

“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.