SCHEMBL154188

SCHEMBL154188

Fc1ccc(C[CH]c2cccc(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.55
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
NPC1 O15118 1/20 0.47
CHRM5 P08912 1/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
NQO2 P16083 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL9187662 0.87 NFE2L2 (0.59) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL8366338 0.86 NFE2L2 (0.54) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL16494233 0.84 TP53 (0.44) NFE2L2NPC1MAOAMAOBPTGS1
SCHEMBL19437250 0.82 BCL2L1 (0.46) NFE2L2CYP3A4MAOAMAOBTAAR1
SCHEMBL8210813 0.82 NFE2L2 (0.52) NFE2L2MAOAMAOBLOXL2
SCHEMBL5941183 0.81 NFE2L2 (0.50) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL8364378 0.79 TRPA1 (0.45) NFE2L2NPC1RAB9AMAOAMAOB
SCHEMBL8840811 0.77 NFE2L2 (0.52) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL8325508 0.76 NFE2L2 (0.55) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL23457236 0.75 NFE2L2 (0.60) NFE2L2CYP1A2CYP3A4CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430007-B1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LAB LTD (SG) 2014-02-12 EP disclosed
EP-2430007-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS Wista Laboratories Ltd. (SG) 2012-03-21 EP disclosed
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2012-03-08 US disclosed
WO-2010130977-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2010-11-18 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-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT NFE2L2 431/4885CYP1A2 2282/4885CYP3A4 2052/4885

“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.