SCHEMBL2106318

SCHEMBL2106318

S=C(Cl)N(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 3/20 0.50
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL9297051 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL3068207 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AL3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL11246737 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL28865521 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL1224111 0.75 FAAH (0.59) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL130399 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL81706 0.74 ALDH1A1 (1.00) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL7521817 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL310005 0.74 NPSR1 (0.64) ALDH1A1KMT2AL3MBTL1MEN1MAPT
Ethylene SCHEMBL28550011 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AL3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP disclosed
US-8157950-B2 Aldimine and composition containing aldimine SIKA TECHNOLOGY AG (CH) 2012-04-17 US disclosed
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2011-10-20 US disclosed
EP-2194082-B1 Aldimine and composition comprising aldimine SIKA TECHNOLOGY AG (CH) 2011-09-07 EP disclosed
EP-2194082-A1 Aldimine and composition comprising aldimine Sika Technology AG (CH) 2010-06-09 EP disclosed
US-4343803-A FOR PLANTS AND SOILS OLIN CORPORATION (US) 1982-08-10 US disclosed
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 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 (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-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG ALDH1A1 1074/4885KMT2A 87/4885L3MBTL1 2466/4885
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE ALDH7A1, ALDH3A1, ADH5 ALDH1A1 4/4885KMT2A 970/4885L3MBTL1 1537/4885

“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.