SCHEMBL3036995

SCHEMBL3036995

NC(=O)c1ccc(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.58
PTGS1 P23219 1/20 0.57
RXFP1 Q9HBX9 11/20 0.56
P2RX7 Q99572 2/20 0.54
SLC2A1 P11166 1/20 0.54
P2RX4 Q99571 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
MAPT P10636 1/20 0.53
PLAU P00749 2/20 0.53
PLAT P00750 2/20 0.53
MEN1 O00255 1/20 0.53
OPRK1 P41145 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
PLG P00747 1/20 0.52

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
SCHEMBL3018099 0.89 PLAU (0.61) P2RX1PTGS1P2RX7P2RX4TMPRSS4
SCHEMBL3034652 0.83 MLYCD (0.57) MEN1KMT2A
SCHEMBL3023775 0.81 MAOB (0.48) PLAUPLATMEN1KMT2APLG
SCHEMBL3028833 0.80 KDM4E (0.64) RXFP1MAPTPLAUPLATMEN1
SCHEMBL3278020 0.79 P2RX1 (0.68) P2RX1P2RX7P2RX4TMPRSS4PLAU
SCHEMBL16670141 0.78 HTT (0.69) P2RX1PTGS1RXFP1MAPTMEN1
SCHEMBL29561761 0.78 HTT (0.69) P2RX1PTGS1RXFP1MAPTMEN1
SCHEMBL3028544 0.77 PLAU (0.55) PLAUPLATMEN1KMT2A
SCHEMBL4476633 0.76 MAPT (0.86) P2RX1PTGS1RXFP1MAPTPLAU
SCHEMBL7182329 0.75 MAPT (0.63) P2RX1PTGS1RXFP1MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 P2RX1 3097/4885PTGS1 453/4885RXFP1 3843/4885

“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.