SCHEMBL30445799

SCHEMBL30445799

Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.79
▸ SMO Q99835 3/20 0.79
▸ MAPT P10636 10/20 0.79
▸ TP53 P04637 5/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ NPC1 O15118 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ CHEK2 O96017 1/20 0.58
▸ THRB P10828 2/20 0.56
▸ COMT P21964 1/20 0.55

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
SCHEMBL25211422 1.00 MAPK14 (0.79) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL3766274 0.89 MAPK14 (1.00) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL14615278 0.88 MAPT (1.00) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL3685018 0.84 SMO (0.80) MAPK14SMOMAPT
SCHEMBL3687967 0.81 SMO (0.87) MAPK14SMOMAPT
SCHEMBL14615292 0.81 MAPT (0.69) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL25232982 0.81 MAPT (0.63) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL30442877 0.81 MAPT (0.63) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL14615293 0.81 MAPT (0.72) MAPK14SMOMAPTTP53SMN1; SMN2
SCHEMBL25208976 0.80 MAPT (0.68) MAPK14SMOMAPTTP53SMN1; SMN2

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-20230172913-A1 COMPOUNDS FOR USE IN THE REACTIVATION OF HIV IN LATENT HIV-INFECTED CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-08 — — 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-20230172913-A1 COMPOUNDS FOR USE IN THE REACTIVATION OF HIV IN LATENT HIV-INFECTED CELLS TARBP1, NFATC1, TARDBP MAPK14 2633/4885SMO 4353/4885MAPT 781/4885

“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.

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