SCHEMBL23914585

SCHEMBL23914585

N#Cc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1OCC(F)F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.68
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23908890 0.97 S1PR2 (0.66) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23909010 0.94 S1PR2 (0.60) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23908729 0.92 S1PR2 (0.60) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23908969 0.91 S1PR2 (0.67) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23966642 0.91 S1PR2 (0.63) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23914678 0.91 S1PR2 (0.56) S1PR2KDM4ESMN1; SMN2NPSR1TDP1
SCHEMBL23908759 0.91 S1PR2 (0.58) S1PR2KDM4ESMN1; SMN2TP53
SCHEMBL23908790 0.90 S1PR2 (0.61) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23908736 0.90 S1PR2 (0.61) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL23908732 0.90 S1PR2 (0.71) S1PR2KDM4EHSD17B10MAPTSMN1; SMN2

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 3/4885KDM4E 3835/4885HSD17B10 2447/4885

“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.