SCHEMBL20176063

SCHEMBL20176063

CC(C#N)(O[Si](C)(C)CCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 9/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD11B1 P28845 1/20 0.34
GAA P10253 3/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHODH Q02127 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
PKM P14618 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
SCHEMBL20176056 0.79 SQOR (0.32) ALDH1A1
SCHEMBL20176041 0.79 CYP2D6 (0.35) ALDH1A1RAB9ANPSR1KDM4E
SCHEMBL20176066 0.75 CYP2D6 (0.34) LMNANPSR1
SCHEMBL28455171 0.71 HSD17B10 (0.48) ALDH1A1POLBRECQLMAPTLMNA
SCHEMBL6563216 0.71 KIF11 (0.32)
SCHEMBL20176079 0.70 ALDH1A1 (0.37) ALDH1A1RECQLMAPTLMNAHTT
SCHEMBL395484 0.70 HSD17B10 (0.47) ALDH1A1POLBRECQLMAPTLMNA
SCHEMBL9555440 0.69 MAPT (0.50) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL8105306 0.69 HSD17B10 (0.50) ALDH1A1POLBRECQLMAPTLMNA
SCHEMBL20176073 0.69 CCR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB ALDH1A1 3188/4885POLB 2243/4885RECQL 4875/4885

“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.