SCHEMBL3472322

SCHEMBL3472322

COC(=O)c1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RXRA P19793 3/20 0.53
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
POLB P06746 5/20 0.53
TP53 P04637 1/20 0.51
RAB9A P51151 3/20 0.50
THRB P10828 2/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL3471973 0.92 RXRA (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473532 0.92 MAPT (0.50) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472273 0.90 MAPT (0.56) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473656 0.90 MAPT (0.64) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472421 0.89 MAPT (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473833 0.89 MAPT (0.53) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473976 0.89 MAPT (0.53) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3474844 0.88 RXRA (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3474587 0.88 RXRA (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3471324 0.88 MAPT (0.59) MAPTSMN1; SMN2RXRANR1H2NR1H3

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 4737/4885SMN1; SMN2 4666/4885RXRA 18/4885

“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.