SCHEMBL12172979

SCHEMBL12172979

O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ EGFR P00533 5/20 0.56
▸ ERBB2 P04626 4/20 0.56
▸ ACP1 P24666 1/20 0.56
▸ PTPN12 Q05209 1/20 0.56
▸ PTPN13 Q12923 1/20 0.56
▸ SSU72 Q9NP77 1/20 0.56
▸ MRGPRX4 Q96LA9 2/20 0.53
▸ DHODH Q02127 2/20 0.51
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL12173117 0.90 MEN1 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1GLA
SCHEMBL12189424 0.88 MRGPRX4 (0.65) MRGPRX4LRRK2
SCHEMBL12173127 0.86 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1GLA
SCHEMBL12189426 0.86 MRGPRX4 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1GLA
SCHEMBL12172970 0.86 EGFR (0.58) EGFRERBB2ACP1PTPN12PTPN13
SCHEMBL12172952 0.84 EGFR (0.56) MEN1KMT2AEGFRERBB2ACP1
SCHEMBL12172997 0.81 PARP1 (0.61) SMN1; SMN2MEN1KMT2AEGFRERBB2
SCHEMBL12189418 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1GLA
SCHEMBL12173107 0.79 RORC (0.66) SMN1; SMN2MEN1KMT2AALDH1A1GLA
SCHEMBL248244 0.79 DHODH (0.71) EGFRERBB2ACP1PTPN12PTPN13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
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 (2 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 SMN1; SMN2 4278/4885MEN1 2365/4885KMT2A 1142/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 SMN1; SMN2 4278/4885MEN1 2365/4885KMT2A 1142/4885

“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.

Send feedback