SCHEMBL4153133

SCHEMBL4153133

Cc1cccc(-c2nnc(CN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.52
PGR P06401 2/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4142569 0.90 AR (0.41) ARPGRNR1H2NR1H3
SCHEMBL4137720 0.90 NR1H2 (0.46) ARPGRNR1H2NR1H3NPC1
SCHEMBL4145111 0.89 AR (0.49) ARPGRHPGDSMN1; SMN2NPC1
SCHEMBL4151282 0.89 AR (0.46) ARPGRHPGDSMN1; SMN2TSHR
SCHEMBL4144387 0.85 AR (0.47) ARPGRHPGDSMN1; SMN2NPC1
SCHEMBL4145277 0.85 NPC1 (0.42) ARPGRHPGDNPC1RAB9A
SCHEMBL4152906 0.85 AR (0.42) ARPGR
SCHEMBL4150660 0.84 AR (0.43) ARPGR
SCHEMBL4150461 0.84 AR (0.43) ARPGRHPGDSMN1; SMN2TSHR
SCHEMBL4140528 0.84 AR (0.43) ARPGRHPGDSMN1; SMN2NPC1

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 27/4885NR1H2 61/4885

“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.