SCHEMBL4157495

SCHEMBL4157495

N#Cc1ccc(N(Cc2nnc(-c3ccc(Cl)nc3)o2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.40
PGR P06401 1/20 0.40
NOTUM Q6P988 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPV1 Q8NER1 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL4139853 0.90 AR (0.41) ARPGRNOTUM
SCHEMBL4147039 0.87 AR (0.40) ARPGRNOTUMTRPV1SUCNR1
SCHEMBL4150955 0.85 AR (0.43) ARPGRNOTUMSUCNR1
SCHEMBL4150461 0.85 AR (0.43) ARPGRNOTUMNPC1RAB9A
SCHEMBL13777385 0.85 AR (0.42) ARPGRNOTUMNPC1RAB9A
SCHEMBL4145111 0.85 AR (0.49) ARPGRNPC1RAB9AALDH1A1
SCHEMBL4144387 0.85 AR (0.47) ARPGRNOTUMNPC1RAB9A
SCHEMBL4136818 0.85 AR (0.42) ARPGRNOTUM
SCHEMBL4151282 0.84 AR (0.46) ARPGRNOTUMNPC1RAB9A
SCHEMBL4145277 0.84 NPC1 (0.42) ARPGRNPC1RAB9AALDH1A1

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
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885PGR 27/4885NOTUM 562/4885

“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.