SCHEMBL1496766

SCHEMBL1496766

Nc1cc(F)c(OCC(F)(F)F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
THRB P10828 1/20 0.48
G6PD P11413 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KIF11 P52732 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5426463 0.79 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17465569 0.79 MAPT (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29176987 0.79 MAPT (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL22884505 0.78 MAPT (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14955914 0.78 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5425809 0.75 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17404934 0.75 MAPT (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2565629 0.75 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9119019 0.74 MAPT (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1458409 0.74 TSHR (0.41) MAPTALDH1A1MEN1KMT2AKDM4E

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
EP-1967519-B1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC (JP) 2012-09-05 EP disclosed
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2011-09-01 US disclosed
US-7906508-B2 3,4-dihydrobenzoxazine compounds and inhibitors of vanilloid receptor subtype 1 (VRI) activity JAPAN TOBACCO INC. (JP) 2011-03-15 US disclosed
EP-1967519-A1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2008-09-10 EP disclosed
US-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2007-06-28 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 (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-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 MAPT 4791/4885ALDH1A1 1012/4885MEN1 4733/4885
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 MAPT 4791/4885ALDH1A1 1012/4885MEN1 4733/4885

“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.