SCHEMBL30445763

SCHEMBL30445763

COc1ccc(-c2ccc3nccnc3c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MAPT P10636 9/20 0.54
▸ TP53 P04637 3/20 0.54
▸ SCD O00767 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ MAPK14 Q16539 2/20 0.50

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
SCHEMBL25229602 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTP53SCDALDH1A1
SCHEMBL25245419 0.86 ABCB1 (0.58) SMN1; SMN2MAPTALDH1A1KDM4ECYP1A2
SCHEMBL30445445 0.86 ABCB1 (0.58) SMN1; SMN2MAPTALDH1A1KDM4ECYP1A2
SCHEMBL30445887 0.84 MAPT (0.55) SMN1; SMN2MAPTTP53SCDALDH1A1
SCHEMBL25214891 0.84 MAPT (0.55) SMN1; SMN2MAPTTP53SCDALDH1A1
SCHEMBL25234064 0.81 TP53 (0.66) SMN1; SMN2MAPTTP53SCDTSHR
SCHEMBL30445554 0.81 MAPT (0.78) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL25209983 0.81 MAPT (0.78) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL25205876 0.81 MAPT (0.49) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL25235892 0.79 MAPT (0.55) SMN1; SMN2MAPTTP53SCDALDH1A1

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 SMN1; SMN2 4842/4885MAPT 781/4885TP53 821/4885

“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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