SCHEMBL12173182

SCHEMBL12173182

COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.52
▸ KMT2A Q03164 10/20 0.52
▸ MAPT P10636 7/20 0.52
▸ CYP19A1 P11511 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTT P42858 4/20 0.50
▸ LMNA P02545 3/20 0.49
▸ KCNMA1 Q12791 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SERPINE1 P05121 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RORC P51449 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ PYGL P06737 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL12835404 0.81 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL13297762 0.78 CYP19A1 (0.67) MEN1KMT2AMAPTCYP19A1SMN1; SMN2
SCHEMBL12835405 0.78 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL12173161 0.77 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL12172819 0.77 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL13297753 0.76 CYP19A1 (0.64) MEN1KMT2AMAPTCYP19A1SMN1; SMN2
SCHEMBL12835312 0.76 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL13297754 0.76 CYP19A1 (0.75) MEN1KMT2AMAPTCYP19A1SMN1; SMN2
SCHEMBL12172997 0.76 PARP1 (0.61) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL13297761 0.75 CYP19A1 (0.77) MEN1KMT2AMAPTCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 — — WO 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 MEN1 2365/4885KMT2A 1142/4885MAPT 2792/4885

“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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