SCHEMBL2201410

SCHEMBL2201410

CN(C)S(=O)(=O)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALPL P05186 2/20 0.50
CYP1A2 P05177 1/20 0.49
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.45
MGAM O43451 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2377244 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL14718512 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMMP2MMP13RAB9A
SCHEMBL8367483 0.78 RAB9A (0.52) ALDH1A1KDM4EALPLCYP1A2MMP2
SCHEMBL29927370 0.77 CA12 (0.69) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL2377240 0.77 CA12 (0.51) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL1771001 0.77 CA12 (0.51) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL10296114 0.77 MGAM (0.51) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL8788307 0.77 CA12 (0.69) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL7768453 0.77 CNR2 (0.51) ALDH1A1KDM4EALPLCYP1A2CA12
SCHEMBL29712704 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EALPLCYP1A2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 WO disclosed
CN-86104611-A The preparation method of therapeutical agent 1988-01-27 CN 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP ALDH1A1 1663/4885KDM4E 1927/4885ALPL 2524/4885

“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.