SCHEMBL23915376

SCHEMBL23915376

C[Si](C)(C)CCOCn1c(Cc2n[nH]c(=O)c3ccccc23)cc2cc(Cl)c(OCC(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
AR P10275 8/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL23915377 0.90 S1PR2 (0.37) S1PR2ARLMNAHTTNPSR1
SCHEMBL23966562 0.89 S1PR2 (0.36) S1PR2ARLMNAHTTNPSR1
SCHEMBL23914758 0.83 S1PR2 (0.57) S1PR2TSHRNPC1
SCHEMBL23909043 0.80 S1PR2 (0.48) S1PR2NPSR1CYP3A4CYP2C9CYP2C19
SCHEMBL23909060 0.79 S1PR2 (0.53) S1PR2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23909113 0.78 GRM2 (0.32) NPC1
SCHEMBL23915383 0.78 PARP1 (0.35) ARLMNATSHRCYP3A4CYP2C9
SCHEMBL23908886 0.76 PARP1 (0.36) S1PR2ARLMNATSHRCYP3A4
SCHEMBL23909051 0.74 GRM2 (0.31)
SCHEMBL23909055 0.72 NPC1 (0.32) ALDH1A1KDM4EL3MBTL1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885AR 890/4885LMNA 449/4885

“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.