SCHEMBL3009698

SCHEMBL3009698

CC(C)(C)OC(=O)NCC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
KIT P10721 2/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
VCP P55072 2/20 0.39
BRD4 O60885 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
MAPK8 P45983 1/20 0.36
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
BACE1 P56817 1/20 0.35
PRMT5 O14744 1/20 0.35

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
SCHEMBL3013704 0.83 JUN (0.43) KITVCPBRD4MAPK8
SCHEMBL2998554 0.83 KIT (0.40) KITKMT2AVCP
SCHEMBL3009701 0.82 KIT (0.42) KITALDH1A1VCPBRD4CKS1B
SCHEMBL3432708 0.82 MAPK8 (0.48) KITMAPK8
SCHEMBL2995216 0.80 KIT (0.52) KITMEN1ALDH1A1KMT2AVCP
SCHEMBL3806729 0.79 JUN (0.41) KITVCPBRD4MAPK8
SCHEMBL69013 0.78 KMT2A (0.54) SIGMAR1FNTAFNTBMEN1ALDH1A1
SCHEMBL3001840 0.78 JAK1 (0.48) KITMEN1ALDH1A1KMT2A
SCHEMBL3009562 0.77 VCP (0.43) MEN1ALDH1A1KMT2AVCPBRD4
SCHEMBL2999826 0.77 VCP (0.40) VCPBRD4ACACBACACA

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 SIGMAR1 3440/4885KIT 659/4885FNTA 721/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 SIGMAR1 3440/4885KIT 659/4885FNTA 721/4885

“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.