Sugi Predict

Sugi Predict / Compounds / SCHEMBL49706

SCHEMBL49706

SCHEMBL49706

c1ccc([N][Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ MIF P14174 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC22A3 O75751 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ MAOA P21397 2/20 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
SCHEMBL146838 0.73 ESR1 (0.40) ALDH1A1MEN1KMT2ANPC1ESR1
SCHEMBL49918 0.69 ESR1 (0.42) ALDH1A1ESR1ESR2MAPTTDP1
SCHEMBL49519 0.69 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1ESR1
SCHEMBL1416688 0.67 ESR1 (0.36) ALDH1A1ESR1ESR2TDP1CA12
SCHEMBL3275968 0.63 ESR1 (0.33) ESR1ESR2
SCHEMBL149490 0.63 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPC1MIF
SCHEMBL439491 0.63 ESR1 (0.36) ALDH1A1MEN1KMT2ANPC1ESR1
Azobenzene SCHEMBL32032 0.61 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1MIF
Azobenzene SCHEMBL11878769 0.61 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1MIF
Azobenzene SCHEMBL11124477 0.61 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 — — US disclosed
US-8013052-B2 Curable resin, production method thereof, epoxy resin composition, and electronic device HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-09-06 — — US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 — — US disclosed
US-20090023855-A1 NOVEL CURABLE RESIN, PRODUCTION METHOD THEREOF, EPOXY RESIN COMPOSITION, AND ELECTRONIC DEVICE RESONAC CORPORATION (JP) 2009-01-22 — — 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-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 ALDH1A1 2071/4885MEN1 2519/4885KMT2A 1048/4885

“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.