SCHEMBL2564892

SCHEMBL2564892

O=[N+]([O-])c1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP19A1 P11511 2/20 0.50
SIGMAR1 Q99720 1/20 0.49
PDE7A Q13946 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMO O15229 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL22069670 0.94 CYP19A1 (0.57) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL30882122 0.94 CYP19A1 (0.54) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL23327657 0.94 CYP19A1 (0.54) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL30125933 0.88 CYP19A1 (0.53) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL10002964 0.88 CYP19A1 (0.53) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL30125863 0.87 MAPT (0.50) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL30127491 0.86 MAPT (0.46) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL3506910 0.84 MAPT (0.56) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL12835342 0.83 MAPT (0.51) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL12173067 0.83 MAPT (0.46) MAPTHPGDSMN1; SMN2LMNAALDH1A1

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 8 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-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
CN-102574836-B Aminopyrazole Derivatives CHUGAI PHARMACEUTICAL CO LTD 2014-04-16 CN disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 US disclosed
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 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 (3 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 926/4885SMN1; SMN2 4278/4885
US-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES MAPT 2366/4885HPGD 342/4885SMN1; SMN2 4664/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MAPT 2792/4885HPGD 926/4885SMN1; SMN2 4278/4885

“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.