Sugi Predict

Sugi Predict / Compounds / SCHEMBL3485737

SCHEMBL3485737

SCHEMBL3485737

C[Si](C)(C)C#Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ MAOB P27338 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL3019809 0.83 ACACB (0.44) ACACBKIF11GABRA1GABRG2GABRB3
SCHEMBL28659226 0.82 ACACB (0.50) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL1476032 0.80 GRM5 (0.56) EPHX2
SCHEMBL16582448 0.79 ACACB (0.46) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL20623323 0.78 RXRA (0.40) MAOBAOC3L3MBTL1POLBSCN5A
SCHEMBL27722562 0.78 ACACB (0.44) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL3846192 0.78 GRM5 (0.39) ACACBGABRA1GABRG2GABRB3GABRA5
SCHEMBL10300052 0.77 APP (0.57) ACACBMAOBAOC3L3MBTL1
SCHEMBL17225200 0.77 ACACB (0.48) ACACBMAOBAOC3MAPTEPHX2
SCHEMBL1306384 0.77 GABRA1 (0.38) MAPTGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702139-A Use of strobilurin-type compounds to control phytopathogenic fungi containing the amino acid substitution F129L in the mitochondrial cytochrome b protein conferring tolerance to Qo inhibitor V 巴斯夫欧洲公司 2023-02-14 — — CN disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 — — US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 — — US disclosed
EP-2150112-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2010-02-10 — — EP disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 — — 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 (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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 ACACB 657/4885MAOB 268/4885AOC3 2948/4885

“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.