SCHEMBL3475237

SCHEMBL3475237

O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
CNR1 P21554 8/20 0.49
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.46
MARS1 P56192 1/20 0.45
CNR2 P34972 2/20 0.44
NR3C2 P08235 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL3475206 0.92 CNR1 (0.52) TRPV1RXRANR1H2NR1H3CNR1
SCHEMBL3472003 0.89 TRPV1 (0.50) TRPV1RXRANR1H2NR1H3HIF1A
SCHEMBL3474330 0.87 RXRA (0.54) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3472452 0.86 MAPT (0.49) TRPV1RXRANR1H2NR1H3KMT2A
SCHEMBL3473364 0.86 RXRA (0.56) RXRANR1H2NR1H3KMT2ACNR2
SCHEMBL14624263 0.86 RXRA (0.50) TRPV1RXRANR1H2NR1H3CNR1
SCHEMBL3472915 0.85 RXRA (0.52) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3474538 0.84 RXRA (0.52) RXRANR1H2NR1H3CNR1NR3C2
SCHEMBL3473854 0.84 RXRA (0.54) RXRANR1H2NR1H3NR3C2HDAC3
SCHEMBL3474608 0.84 NPC1 (0.51) RXRANR1H2NR1H3NR3C2HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 TRPV1 1877/4885RXRA 18/4885NR1H2 1/4885

“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.