SCHEMBL9906852

SCHEMBL9906852

C[Si](C)(C)CCOCn1ncc2c1ccc[n+]2[O-]

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL4999844 0.85 NPC1 (0.35) DGAT1NPC1
SCHEMBL30405844 0.80 DGAT1 (0.36) DGAT1NPC1
SCHEMBL27718799 0.75 RECQL (0.47) NPC1
SCHEMBL29365472 0.75 RECQL (0.47) NPC1
SCHEMBL20531570 0.74 DGAT1 (0.34) DGAT1NPC1
SCHEMBL26348707 0.72 NPC1 (0.37) DGAT1NPC1
SCHEMBL29626770 0.72 GRIN1 (0.34) DGAT1NPC1
SCHEMBL2598354 0.72 GRIN1 (0.34) DGAT1NPC1
SCHEMBL3930727 0.71 NPC1 (0.36) DGAT1NPC1
SCHEMBL29571479 0.71 NPC1 (0.36) DGAT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET DGAT1 4469/4885NPC1 3613/4885

“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.

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