SCHEMBL3472874

SCHEMBL3472874

COc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
THRB P10828 2/20 0.53
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
TP53 P04637 2/20 0.48
JAK2 O60674 1/20 0.48
CNR1 P21554 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 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
SCHEMBL3473035 0.89 CNR1 (0.55) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3472408 0.88 MAPT (0.59) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3471008 0.88 MAPT (0.64) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3471865 0.86 MAPT (0.69) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3471035 0.86 MAPT (0.64) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3473656 0.86 MAPT (0.64) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3472070 0.86 RXRA (0.57) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3472102 0.86 MAPT (0.61) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3471118 0.85 MAPT (0.57) MAPTPOLBSMN1; SMN2THRBRXRA
SCHEMBL3473738 0.85 PTGS2 (0.57) MAPTPOLBSMN1; SMN2THRBRXRA

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 MAPT 4737/4885POLB 3735/4885SMN1; SMN2 4666/4885

“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.