SCHEMBL3011386

SCHEMBL3011386

CC(=O)Nc1ccc(-c2cc3cc(CN4CCS(=O)(=O)CC4)cc(N)c3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
ABCB1 P08183 1/20 0.38
MOK Q9UQ07 2/20 0.37
XDH P47989 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
DHODH Q02127 2/20 0.37
JAK1 P23458 1/20 0.37
ACP1 P24666 1/20 0.36
ADORA2B P29275 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL25924584 0.90 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL2995429 0.83 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL3433366 0.83 JAK1 (0.40) ALDH1A1KDM4EDHODHJAK1ACP1
SCHEMBL29384916 0.83 JAK1 (0.40) ALDH1A1KDM4EDHODHJAK1ACP1
SCHEMBL3418298 0.83 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL25924580 0.82 JAK2 (0.44) RAB9ANPC1KDM4EMAPTPKM
SCHEMBL3418751 0.81 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL3419133 0.80 EZH2 (0.40) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL16427972 0.80 MOK (0.37) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL3419136 0.80 CSF1R (0.41) ALDH1A1RAB9ANPC1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 ALDH1A1 1971/4885RAB9A 3616/4885NPC1 739/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 ALDH1A1 1971/4885RAB9A 3616/4885NPC1 739/4885

“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.