SCHEMBL5470508

SCHEMBL5470508

C[Si](C)(C)c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
LOXL2 Q9Y4K0 7/20 0.48
ABAT P80404 1/20 0.46
TAAR1 Q96RJ0 2/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PSIP1 O75475 1/20 0.41
ADRB2 P07550 1/20 0.41
F10 P00742 1/20 0.39
F11 P03951 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
Ethane SCHEMBL9529291 0.97 HRH3 (0.48) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL10914886 0.84 HRH3 (0.50) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL15981407 0.80 ABAT (0.48) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL19600562 0.80 TAAR1 (0.56) LOXL2TAAR1NOS3NOS1NOS2
SCHEMBL6510336 0.78 ESR1 (0.41) HRH3TAAR1
SCHEMBL1908526 0.77 PNMT (0.48) LOXL2NOS3NOS1NOS2
SCHEMBL586534 0.76 NR1H2 (0.50)
SCHEMBL15828 0.76 HRH3 (0.79) HRH3LOXL2ABATTAAR1NOS3
SCHEMBL8306401 0.76 TP53 (0.46) TAAR1CA2
SCHEMBL11355568 0.75 NR1H2 (0.46) HRH3LOXL2ABATTAAR1NOS3

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-20070185182-A1 Heteroaryl carboxamide compounds HOFFMAN-LA ROCHE INC. 2007-08-09 US disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 HRH3 32/4885LOXL2 1213/4885ABAT 1503/4885
US-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 HRH3 241/4885LOXL2 2608/4885ABAT 356/4885

“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.