SCHEMBL3473969

SCHEMBL3473969

COc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
POLB P06746 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
THRB P10828 3/20 0.55
TP53 P04637 2/20 0.50
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
GRM4 Q14833 2/20 0.47
ORAI1 Q96D31 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 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
SCHEMBL3471371 0.93 MAPT (0.62) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3471865 0.93 MAPT (0.69) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3471035 0.91 MAPT (0.64) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3474293 0.91 MAPT (0.61) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3475078 0.90 MAPT (0.62) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3471509 0.90 MAPT (0.67) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3471335 0.89 MAPT (0.55) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3473988 0.89 MAPT (0.55) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3471008 0.88 MAPT (0.64) MAPTPOLBSMN1; SMN2THRBTP53
SCHEMBL3470681 0.88 MAPT (0.53) MAPTPOLBSMN1; SMN2THRBTP53

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.