SCHEMBL1305243

SCHEMBL1305243

C#Cc1ccc2c(c1)c1cc(C#C)ccc1n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GPR3 P46089 1/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRA3 P34903 1/20 0.39
GABRA6 Q16445 1/20 0.38

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
SCHEMBL13059950 0.91 BCHE (0.44) NPC1RAB9AMEN1KMT2AGABRG2
SCHEMBL13059952 0.91 GPR3 (0.57) NPC1RAB9AMEN1KMT2AGPR3
SCHEMBL18268243 0.89 MEN1 (0.48) NPC1RAB9AMEN1KMT2AGABRG2
SCHEMBL18268242 0.81 NOX1 (0.39) NPC1RAB9AMEN1KMT2AGABRG2
SCHEMBL13451233 0.80 GPR3 (0.53) NPC1RAB9AMEN1KMT2AGPR3
SCHEMBL13451234 0.79 GPR3 (0.57) NPC1RAB9AMEN1KMT2AGPR3
SCHEMBL6363289 0.78 EGFR (0.46) NPC1RAB9AMEN1KMT2AGPR3
SCHEMBL1049148 0.78 KDM4E (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL31223919 0.75 GABRG2 (0.41) NPC1RAB9AMEN1KMT2AGABRG2
SCHEMBL21122012 0.75 POLB (0.48) NPC1RAB9AGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 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-20080227939-A1 Organosilane compound and organosilica obtained therefrom CARM1, PRMT1, PRMT8 NPC1 2893/4885RAB9A 1673/4885MEN1 842/4885

“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.