SCHEMBL4146941

SCHEMBL4146941

N#Cc1ccc(N(Cc2nc(-c3cccnc3)no2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
S1PR1 P21453 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 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
SCHEMBL4150659 0.89 AR (0.48) ALDH1A1S1PR1ABCG2MAPK1HPGD
SCHEMBL4147167 0.86 S1PR1 (0.44) ALDH1A1S1PR1HPGDNPC1RAB9A
SCHEMBL4156862 0.85 AR (0.38) S1PR1AR
SCHEMBL4158085 0.85 S1PR1 (0.41) S1PR1HPGDKMT2ASMN1; SMN2AR
SCHEMBL4145663 0.85 S1PR1 (0.44) S1PR1SMN1; SMN2AR
SCHEMBL4153657 0.85 AR (0.40) ALDH1A1S1PR1HTTNPC1RAB9A
SCHEMBL4145277 0.84 NPC1 (0.42) ALDH1A1MAPK1HPGDNPC1RAB9A
SCHEMBL4151095 0.83 NPC1 (0.44) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL4156505 0.82 RAB9A (0.41) ALDH1A1S1PR1HPGDNPC1RAB9A
SCHEMBL4150665 0.81 HDAC2 (0.47) MAPK1CHRNB2CHRNA5CHRNA4NPC1

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 3 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
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

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 ALDH1A1 1164/4885S1PR1 781/4885ABCB1 1137/4885

“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.