SCHEMBL3474934

SCHEMBL3474934

COc1ccc(C)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
THRB P10828 2/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
TP53 P04637 2/20 0.48

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
SCHEMBL3473066 0.92 MAPT (0.56) MAPTPOLBSMN1; SMN2THRBHDAC1
SCHEMBL3473300 0.92 MAPT (0.56) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3471255 0.92 MAPT (0.58) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3473226 0.91 MAPT (0.56) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3473603 0.91 MAPT (0.55) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3474258 0.90 HDAC3 (0.54) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3472933 0.90 MAPT (0.53) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL15690890 0.89 MAPT (0.55) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3474991 0.89 HDAC3 (0.52) MAPTPOLBSMN1; SMN2THRBHDAC3
SCHEMBL3474021 0.89 HDAC3 (0.52) MAPTPOLBSMN1; SMN2THRBHDAC3

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 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.