SCHEMBL31300632

SCHEMBL31300632

COC(=O)c1cc2c(Br)cccc2n1COCC[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTGER4 P35408 2/20 0.37
TP53 P04637 2/20 0.36
KLKB1 P03952 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F10 P00742 1/20 0.35

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
SCHEMBL20604916 1.00 NPC1 (0.49) NPC1MTNR1AMTNR1BCA12CA1
SCHEMBL20535438 0.83 NPC1 (0.39) NPC1TP53KLKB1MAPTSMN1; SMN2
SCHEMBL31662605 0.79 NPC1 (0.47) NPC1MAPT
SCHEMBL20535691 0.77 NPC1 (0.35) NPC1TP53KLKB1MAPTSMN1; SMN2
SCHEMBL31440609 0.76 NPC1 (0.39) NPC1KLKB1MAPTSMN1; SMN2KDM4E
SCHEMBL15746127 0.76 MAPT (0.41) NPC1TP53MAPTSMN1; SMN2KDM4E
SCHEMBL24035205 0.75 LDHA (0.40) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL15746117 0.75 NPC1 (0.45) NPC1TP53KLKB1MAPTSMN1; SMN2
SCHEMBL1243792 0.75 MAPT (0.58) TP53MAPTSMN1; SMN2THRBKDM4E
SCHEMBL15746121 0.75 NPC1 (0.44) NPC1PTGER4TP53KLKB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 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-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 NPC1 2467/4885MTNR1A 1577/4885MTNR1B 1974/4885

“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.