SCHEMBL12189459

SCHEMBL12189459

O=[N+]([O-])c1ccc(OCc2cccc(OC(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MRGPRX4 Q96LA9 7/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ SLC6A4 P31645 1/20 0.44
▸ USP28 Q96RU2 1/20 0.44

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
SCHEMBL12173106 0.85 MAPT (0.71) MAPTHPGDEGFRERBB2LMNA
SCHEMBL12172741 0.84 MRGPRX4 (0.58) MRGPRX4
SCHEMBL12189427 0.82 MEN1 (0.49) MAPTEGFRERBB2LMNASMN1; SMN2
SCHEMBL141880 0.82 EGFR (0.59) MAPTHPGDEGFRERBB2LMNA
SCHEMBL29555766 0.82 EGFR (0.59) MAPTHPGDEGFRERBB2LMNA
SCHEMBL29433280 0.80 MAPT (0.65) MAPTHPGDLMNASMN1; SMN2KMT2A
SCHEMBL2191697 0.80 MAPT (0.65) MAPTHPGDLMNASMN1; SMN2KMT2A
SCHEMBL12190086 0.80 MRGPRX4 (0.62) EGFRERBB2MRGPRX4SLC6A4USP28
SCHEMBL12173128 0.80 MAPT (0.55) MAPTHPGDLMNASMN1; SMN2MRGPRX4
SCHEMBL22469938 0.79 MRGPRX4 (0.65) MRGPRX4

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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MAPT 2792/4885HPGD 926/4885EGFR 3770/4885

“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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