SCHEMBL31428840

SCHEMBL31428840

C[Si](C)(C)CCOCn1cnc(-c2cc(C=O)nc3ccc(C(=O)N4CCOCC4)cc23)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GRM2 Q14416 1/20 0.37
ERN1 O75460 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.34
PTGER4 P35408 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
SCHEMBL31428394 0.90 RAB9A (0.39) RAB9ANPC1CCNCCDK8HPGD
SCHEMBL31428719 0.84 PDCD1 (0.35) RAB9ANPC1HPGDHSD17B10KDM4E
SCHEMBL31428604 0.82 CCNC (0.43) RAB9ANPC1CCNCCDK8HPGD
SCHEMBL31428987 0.77 RIPK1 (0.44) HPGDGRM2ERN1KDM4EALDH1A1
SCHEMBL31428954 0.76 CCNC (0.44) RAB9ANPC1CCNCCDK8HPGD
SCHEMBL31428737 0.76 NPC1 (0.37) RAB9ANPC1HPGDHSD17B10KDM4E
SCHEMBL31428711 0.74 GRM2 (0.51) HPGDGRM2ERN1KDM4EALDH1A1
SCHEMBL31428649 0.73 CNR2 (0.46) RAB9ANPC1CCNCCDK8HPGD
SCHEMBL24975793 0.73 GRM2 (0.47) RAB9ANPC1CCNCCDK8HPGD
SCHEMBL31428712 0.73 GRM2 (0.49) CCNCCDK8HPGDGRM2ERN1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS RAB9A 67/4885NPC1 3237/4885CCNC 1310/4885

“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.