SCHEMBL3474467

SCHEMBL3474467

CCc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.47
GBA1 P04062 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RCE1 Q9Y256 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL3471882 0.89 RXRA (0.52) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3471067 0.88 TAS1R3 (0.53) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473699 0.88 SMN1; SMN2 (0.53) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3475554 0.87 RXRA (0.52) RXRANR1H2NR1H3SMN1; SMN2ALDH1A1
SCHEMBL3475242 0.87 RXRA (0.49) RXRANR1H2NR1H3SMN1; SMN2POLB
SCHEMBL3471851 0.86 RXRA (0.49) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3471471 0.86 RXRA (0.49) RXRANR1H2NR1H3LMNASMN1; SMN2
SCHEMBL2257494 0.86 CYP1A2 (0.54) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL3473062 0.83 STIM1 (0.54) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473591 0.83 RXRA (0.51) RXRANR1H2NR1H3SMN1; SMN2POLB

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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.