SCHEMBL1472459

SCHEMBL1472459

O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2J2 P51589 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 1/20 0.48
TRPV1 Q8NER1 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 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
SCHEMBL1471791 0.86 EPHX2 (0.66) EPHX2CYP2C9CYP2J2CYP2C19ALDH1A1
SCHEMBL1471708 0.83 EPHX2 (0.55) EPHX2ALDH1A1MAPTKMT2AMEN1
SCHEMBL18615626 0.82 EPHX2 (0.55) EPHX2ALDH1A1MAPTKMT2AMEN1
SCHEMBL20357285 0.82 EPHX2 (0.55) EPHX2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8298095 0.81 ALDH1A1 (0.58) ALDH1A1MAPTTRPV1KMT2AMEN1
SCHEMBL1229574 0.76 SCD (0.49) ALDH1A1TRPV1HRH1CCR3
SCHEMBL1230439 0.75 SCD (0.67) TRPV1HRH1CCR3
SCHEMBL1472471 0.74 RBP4 (0.59) EPHX2MAPTKMT2AMEN1
SCHEMBL13148192 0.73 ALDH1A1 (0.59) CYP2C19ALDH1A1MAPTTRPV1KMT2A
SCHEMBL13873404 0.73 EPHX2 (0.65) EPHX2CYP2C9CYP2J2CYP2C19MAPT

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
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
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
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
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
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 EPHX2 2432/4885CYP2C9 3737/4885CYP2J2 3655/4885

“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.