SCHEMBL1471670

SCHEMBL1471670

O=[N+]([O-])c1ccc(Oc2ccccc2Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 2/20 0.52
TBXA2R P21731 2/20 0.51
HSPB1 P04792 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RORC P51449 1/20 0.46
PDE7A Q13946 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1472418 0.95 TBXA2R (0.53) CYP1A2CYP2C9CYP2C19HPGDTBXA2R
SCHEMBL9171793 0.87 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HSPB1KMT2A
SCHEMBL11028404 0.86 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HPGDTBXA2R
SCHEMBL22069578 0.84 HPGD (0.63) CYP1A2CYP2C9CYP2C19HPGDTBXA2R
SCHEMBL30098850 0.84 HPGD (0.63) CYP1A2CYP2C9CYP2C19HPGDTBXA2R
SCHEMBL27773191 0.84 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19TBXA2RHSPB1
SCHEMBL27886588 0.84 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HPGDHSPB1
SCHEMBL1472421 0.82 CYP2C9 (0.49) CYP1A2CYP2C9CYP2C19TBXA2RKMT2A
SCHEMBL27675773 0.82 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HPGDTBXA2R
SCHEMBL11286995 0.82 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HPGDHSPB1

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
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 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 (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-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A CYP1A2 2922/4885CYP2C9 3737/4885CYP2C19 4043/4885

“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.