SCHEMBL3471544

SCHEMBL3471544

COC(=O)c1sccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
POLB P06746 5/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 5/20 0.47
MAPK10 P53779 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
NLRP1 Q9C000 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
SCHEMBL3472770 0.90 RXRA (0.48) KMT2ARXRANR1H2NR1H3POLB
SCHEMBL3473324 0.86 RXRA (0.49) KMT2ARXRANR1H2NR1H3POLB
SCHEMBL3471730 0.85 RXRA (0.47) RXRANR1H2NR1H3POLBMAPT
SCHEMBL3472951 0.84 RXRA (0.56) L3MBTL1RXRANR1H2NR1H3POLB
SCHEMBL3473594 0.84 MAPT (0.55) RXRANR1H2NR1H3POLBMAPT
SCHEMBL3473226 0.84 MAPT (0.56) KMT2ARXRANR1H2NR1H3POLB
SCHEMBL3471791 0.82 MAPT (0.53) KMT2ARXRANR1H2NR1H3POLB
SCHEMBL3471219 0.82 MAPT (0.53) RXRANR1H2NR1H3POLBRAB9A
SCHEMBL3472936 0.82 MAPT (0.53) RXRANR1H2NR1H3POLBMAPT
SCHEMBL3472854 0.82 RXRA (0.55) RXRANR1H2NR1H3POLBMAPT

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 KMT2A 2663/4885L3MBTL1 2172/4885RXRA 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.