SCHEMBL5951931

SCHEMBL5951931

C[Si](C)(C)CCOCn1cnc2cc(C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.42
▸ QPCT Q16769 2/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ TBXA2R P21731 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DDR1 Q08345 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 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
SCHEMBL5953456 0.83 DGAT1 (0.40) DGAT1QPCTQPCTLTBXA2RLMNA
SCHEMBL31292237 0.82 NPC1 (0.36) DGAT1NPSR1LMNASMN1; SMN2HTT
SCHEMBL5952134 0.82 FGFR1 (0.41) DGAT1PKMLMNASMN1; SMN2HTT
SCHEMBL21992429 0.81 NPSR1 (0.44) QPCTQPCTLNPSR1TBXA2RPKM
SCHEMBL31292428 0.81 DGAT1 (0.40) DGAT1NPSR1SMN1; SMN2BRD4CREBBP
SCHEMBL25427962 0.81 FGFR1 (0.40) DGAT1LMNASMN1; SMN2GAAALDH1A1
SCHEMBL20401102 0.81 MAPT (0.55) DGAT1QPCTQPCTLLMNASMN1; SMN2
SCHEMBL1271910 0.81 NPC1 (0.41) DGAT1LMNASMN1; SMN2BRD4CREBBP
SCHEMBL31150496 0.81 FGFR1 (0.40) DGAT1LMNASMN1; SMN2GAAALDH1A1
SCHEMBL31450920 0.81 SMN1; SMN2 (0.38) DGAT1NPSR1LMNASMN1; SMN2POLB

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 DGAT1 4531/4885QPCT 3099/4885QPCTL 4439/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A DGAT1 4380/4885QPCT 3554/4885QPCTL 4691/4885

“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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