SCHEMBL1400344

SCHEMBL1400344

C=CCOc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
MAOB P27338 1/20 0.48
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
MMP2 P08253 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP3 P08254 1/20 0.41

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
SCHEMBL2356935 0.94 MMP2 (0.50) CA1CA2CA9CA12CA7
SCHEMBL7788422 0.87 GAA (0.49) CA1CA2CA9CA12CA7
SCHEMBL7788424 0.87 GAA (0.49) CA1CA2CA9CA12CA7
1,4-Diallyloxybenzene SCHEMBL302448 0.84 CA12 (0.63) CA1CA2CA9CA12CA7
SCHEMBL16805852 0.84 NPC1 (0.40) CA1CA2CA9CA12CA7
SCHEMBL10452305 0.83 MMP2 (0.41) CA1CA2CA9CA12CA7
SCHEMBL2364296 0.83 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2831629 0.83 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10451577 0.82 ALDH1A1 (0.39) CA1CA2CA9CA12CA7
4-Cyanophenol SCHEMBL28947740 0.81 ALDH1A1 (0.50) CA1CA2CA9CA12CA7

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444556-A Preparation method of organosilicon intermediate 4-benzonitrile oxyalkyl trialkoxy silane 苏州威迈芯材半导体有限公司 2023-07-18 CN disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
EP-0545409-B1 Liquid crystals with end groups containing more than one silane group CONSORTIUM ELEKTROCHEM IND (DE) 1996-03-06 EP disclosed
EP-0656897-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-06-14 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
US-5399290-A Liquid crystals with (polysila) alkyl wing groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1995-03-21 US disclosed
WO-1994005660-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-03-17 WO disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed
EP-0545409-A1 Liquid crystals with end groups containing more than one silane group Consortium für elektrochemische Industrie GmbH (DE) 1993-06-09 EP disclosed
EP-0193853-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-09-12 EP disclosed
US-4783462-A 3(2H)pyridazinone, and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-11-08 US disclosed
EP-0193853-A2 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-09-10 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 (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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 CA1 4884/4885CA2 4833/4885CA9 3783/4885

“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.