SCHEMBL3009701

SCHEMBL3009701

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.42
VCP P55072 2/20 0.37
CNR1 P21554 5/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.35
BRD4 O60885 1/20 0.35
ROCK2 O75116 2/20 0.34
CYP3A4 P08684 2/20 0.34
CNR2 P34972 1/20 0.34
USP30 Q70CQ3 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL3009698 0.82 SIGMAR1 (0.45) KITVCPALDH1A1BACE1BRD4
SCHEMBL3013704 0.80 JUN (0.43) KITVCPCNR1BRD4
SCHEMBL2998554 0.79 KIT (0.40) KITVCPCNR1CNR2
SCHEMBL3432708 0.79 MAPK8 (0.48) KITCNR1CNR2
SCHEMBL2995216 0.78 KIT (0.52) KITVCPNPC1ALDH1A1MAPT
SCHEMBL3806729 0.78 JUN (0.41) KITVCPCNR1BRD4CNR2
SCHEMBL3001840 0.78 JAK1 (0.48) KITALDH1A1
SCHEMBL3009562 0.77 VCP (0.43) VCPNPC1ALDH1A1MAPTRAB9A
SCHEMBL3013351 0.76 CHEK1 (0.43) KITVCPNPC1ALDH1A1MAPT
SCHEMBL3009129 0.76 KCNH2 (0.40) KITVCPNPC1ALDH1A1MAPT

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 KIT 659/4885VCP 3548/4885CNR1 1338/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 KIT 659/4885VCP 3548/4885CNR1 1338/4885

“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.