SCHEMBL3473699

SCHEMBL3473699

CCSc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 7/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
RXRA P19793 2/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL3471851 0.91 RXRA (0.49) SMN1; SMN2RAB9ANPC1TP53KDM4E
SCHEMBL3474467 0.88 RXRA (0.49) SMN1; SMN2RAB9ANPC1TP53KDM4E
SCHEMBL3471882 0.87 RXRA (0.52) SMN1; SMN2RAB9ANPC1TP53GAA
SCHEMBL3471067 0.86 TAS1R3 (0.53) SMN1; SMN2RAB9ANPC1TP53KDM4E
SCHEMBL3475554 0.85 RXRA (0.52) SMN1; SMN2RAB9ANPC1TP53KDM4E
SCHEMBL3475242 0.85 RXRA (0.49) SMN1; SMN2TP53RXRANR1H2NR1H3
SCHEMBL3471471 0.84 RXRA (0.49) SMN1; SMN2RAB9ANPC1RXRANR1H2
SCHEMBL3473591 0.81 RXRA (0.51) SMN1; SMN2RAB9ANPC1TP53RXRA
SCHEMBL3473062 0.81 STIM1 (0.54) SMN1; SMN2RAB9ANPC1TP53KDM4E
SCHEMBL3473403 0.81 RXRA (0.50) SMN1; SMN2TP53RXRANR1H2NR1H3

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 SMN1; SMN2 4666/4885RAB9A 2024/4885NPC1 41/4885

“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.