SCHEMBL5186995

SCHEMBL5186995

CCC(=O)Nc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HTT P42858 1/20 0.66
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
POLB P06746 2/20 0.57
HPGD P15428 2/20 0.57
KCNQ2 O43526 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL9311985 0.86 KMT2A (0.75) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL8619629 0.86 MAPK1 (0.60) HTTNPC1RAB9AHPGD
SCHEMBL2317149 0.85 HTT (0.88) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL28833417 0.85 MEN1 (0.77) MEN1KMT2A
SCHEMBL12535510 0.84 MEN1 (0.54) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL14085811 0.84 ALDH1A1 (0.67) KMT2AHTTPOLBHPGD
SCHEMBL300285 0.83 KMT2A (0.66) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL29554472 0.83 KMT2A (0.66) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL6072206 0.82 KMT2A (0.70) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL1272337 0.82 KMT2A (0.70) MEN1KMT2AHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096333-A NITROSATION OF A 2-METHYLACETANILIDE TENNECO CHEMICALS, INC. (US) 1978-06-20 US claimed
US-3988347-A NITROSATION OF A 2-METHYL-ACETANILIDE WITH SODIUM NITRITE TENNECO CHEMICALS, INC. (US) 1976-10-26 US claimed
CN-112430216-B Preparation method of benzimidazole compound in pesticide 六夫丁作物保护有限公司 2022-12-09 CN disclosed
WO-2021254529-A1 BICYCLIC COMPOUND 江苏先声药业有限公司 2021-12-23 WO disclosed
CN-112430216-A Preparation method of benzimidazole compound in pesticide and pesticide 苏州帆木云智能科技有限公司 2021-03-02 CN disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
EP-1594878-B1 AVERMECTIN MONOSACCHARIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES MERIAL LTD (GB) 2008-06-04 EP disclosed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO disclosed
US-4096333-A NITROSATION OF A 2-METHYLACETANILIDE TENNECO CHEMICALS, INC. (US) 1978-06-20 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 (3 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 MEN1 903/4885KMT2A 2755/4885HTT 4255/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 MEN1 903/4885KMT2A 2755/4885HTT 4255/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MEN1 1533/4885KMT2A 880/4885HTT 1225/4885

“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.