SCHEMBL3470978

SCHEMBL3470978

O=C(NCCSCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
RXRA P19793 2/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
NR3C2 P08235 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43

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
SCHEMBL3472915 0.86 RXRA (0.52) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL2334881 0.86 CARM1 (0.47) LMNASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL3474330 0.86 RXRA (0.54) LMNASMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473364 0.85 RXRA (0.56) LMNASMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472342 0.84 RXRA (0.54) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3473854 0.84 RXRA (0.54) LMNASMN1; SMN2RXRANR1H2NR1H3
SCHEMBL15690868 0.83 RXRA (0.55) SMN1; SMN2RXRANR1H2NR1H3MAPT
SCHEMBL3472065 0.83 RXRA (0.57) SMN1; SMN2RXRANR1H2NR1H3ALDH1A1
SCHEMBL3473978 0.83 RXRA (0.53) LMNARXRANR1H2NR1H3ALDH1A1
SCHEMBL3475775 0.82 RXRA (0.56) SMN1; SMN2RXRANR1H2NR1H3MAPT

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 LMNA 1608/4885SMN1; 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.