SCHEMBL3930727

SCHEMBL3930727

C[Si](C)(C)CCOCn1ncc2c(Br)cccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
DGAT1 O75907 3/20 0.35
GRM2 Q14416 4/20 0.33
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.30
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
EPHB4 P54760 1/20 0.30
TEK Q02763 1/20 0.30
F2RL1 P55085 1/20 0.30

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
SCHEMBL29571479 1.00 NPC1 (0.36) NPC1DGAT1GRM2TP53KDM4E
SCHEMBL26348707 0.85 NPC1 (0.37) NPC1DGAT1TP53RAB9A
SCHEMBL30436067 0.84 NPC1 (0.35) NPC1DGAT1F2RL1
SCHEMBL20745601 0.84 NPC1 (0.35) NPC1DGAT1F2RL1
SCHEMBL4762700 0.84 NPC1 (0.38) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL26128948 0.83 NPC1 (0.41) NPC1DGAT1KDM4ERAB9AEGFR
SCHEMBL25298512 0.83 EGFR (0.37) NPC1DGAT1GRM2TP53KDM4E
SCHEMBL31276772 0.83 DGAT1 (0.37) NPC1DGAT1
SCHEMBL20753970 0.83 NPC1 (0.38) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL30565986 0.83 EGFR (0.37) NPC1DGAT1GRM2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406612-B1 CARBOLINE DERIVATIVE SERVING AS BROMODOMAIN INHIBITOR NINGBO WENDA PHARMA TECH LTD (CN) 2021-07-21 EP disclosed
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
EP-3190888-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-19 EP disclosed
WO-2016033460-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO disclosed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (5 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NPC1 2440/4885DGAT1 4110/4885GRM2 3328/4885
US-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 NPC1 112/4885DGAT1 2727/4885GRM2 1348/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NPC1 2367/4885DGAT1 4003/4885GRM2 3383/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 NPC1 1074/4885DGAT1 3611/4885GRM2 3298/4885
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 NPC1 112/4885DGAT1 2727/4885GRM2 1348/4885

“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.