SCHEMBL3477754

SCHEMBL3477754

COc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
EPHX2 P34913 3/20 0.48
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXRA P19793 2/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
PTGS2 P35354 4/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.45
KLKB1 P03952 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
PTGS1 P23219 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 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
SCHEMBL14623694 0.92 PTGS2 (0.48) EPHX2MAPTPOLBSMN1; SMN2RXRA
SCHEMBL3473186 0.92 HTT (0.53) MAPTPOLBSMN1; SMN2RXRANR1H2
SCHEMBL3471649 0.87 POLB (0.54) NAMPTMAPTPOLBSMN1; SMN2RXRA
SCHEMBL3471219 0.86 MAPT (0.53) NAMPTMAPTPOLBSMN1; SMN2RXRA
SCHEMBL3472749 0.85 SMN1; SMN2 (0.54) EPHX2MAPTSMN1; SMN2RXRANR1H2
SCHEMBL3472901 0.85 RXRA (0.49) MAPTPOLBSMN1; SMN2RXRANR1H2
SCHEMBL3473455 0.85 SMN1; SMN2 (0.56) NAMPTMAPTPOLBSMN1; SMN2RXRA
SCHEMBL3475206 0.84 CNR1 (0.52) EPHX2MAPTSMN1; SMN2RXRANR1H2
SCHEMBL3472452 0.84 MAPT (0.49) NAMPTMAPTPOLBSMN1; SMN2RXRA
SCHEMBL3474283 0.84 SMN1; SMN2 (0.49) NAMPTMAPTPOLBSMN1; SMN2RXRA

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 6 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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
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
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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 NAMPT 2619/4885EPHX2 961/4885MAPT 4737/4885

“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.