SCHEMBL6361102

SCHEMBL6361102

CCC(=O)Nc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 2/20 0.53
NPC1 O15118 2/20 0.53
F2R P25116 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8619629 0.86 MAPK1 (0.60) ALDH1A1MAPK1RAB9ALMNAHTT
SCHEMBL28063097 0.85 MAPK1 (0.67) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL1116453 0.83 LMNA (0.58) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL5360905 0.82 L3MBTL1 (0.58) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL24692098 0.82 ALDH1A1 (0.49) KMT2AALDH1A1L3MBTL1RAB9AMEN1
SCHEMBL11923480 0.81 GAA (0.47) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL15145819 0.81 CA1 (0.62) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL15338073 0.81 L3MBTL1 (0.57) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL3865714 0.81 L3MBTL1 (0.61) KMT2AALDH1A1L3MBTL1MAPK1RAB9A
SCHEMBL1562128 0.81 ALDH1A1 (0.57) KMT2AALDH1A1L3MBTL1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7632820-B2 4'-desoxy-4'-(phenylamino-carbonyl-hydrazono)-avermectin B1 monosaccharide; biocidal, very broad spectrum at low concentrations; endo-/ectopararsiticides in humans; insecticides; nematocides; miticides; agriculture; crops; veterinary medicine MERIAL LIMITED (US) 2009-12-15 US disclosed
US-7632820-B2 4'-desoxy-4'-(phenylamino-carbonyl-hydrazono)-avermectin B1 monosaccharide; biocidal, very broad spectrum at low concentrations; endo-/ectopararsiticides in humans; insecticides; nematocides; miticides; agriculture; crops; veterinary medicine MERIAL LIMITED (US) 2009-12-15 US 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
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 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 (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 KMT2A 2755/4885ALDH1A1 1477/4885L3MBTL1 3806/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 KMT2A 2755/4885ALDH1A1 1477/4885L3MBTL1 3806/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KMT2A 880/4885ALDH1A1 4025/4885L3MBTL1 2963/4885

“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.