SCHEMBL2998554

SCHEMBL2998554

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.40
CNR1 P21554 6/20 0.39
CNR2 P34972 3/20 0.39
CHEK1 O14757 2/20 0.38
KCNH2 Q12809 2/20 0.38
VCP P55072 2/20 0.38
HRH4 Q9H3N8 2/20 0.37
TACR1 P25103 1/20 0.36
PIK3CB P42338 1/20 0.36
SPR P35270 1/20 0.35
KMT2A Q03164 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
SCHEMBL3806729 0.94 JUN (0.41) KITCNR1CNR2CHEK1KCNH2
SCHEMBL3013704 0.89 JUN (0.43) KITCNR1VCPHRH4TACR1
SCHEMBL3432708 0.86 MAPK8 (0.48) KITCNR1CNR2
SCHEMBL3001840 0.85 JAK1 (0.48) KITKMT2A
SCHEMBL3009698 0.83 SIGMAR1 (0.45) KITVCPKMT2A
SCHEMBL3009562 0.81 VCP (0.43) VCPHRH4KMT2A
SCHEMBL3013351 0.81 CHEK1 (0.43) KITCHEK1KCNH2VCPKMT2A
SCHEMBL3414966 0.81 EPHX2 (0.39) KITCNR2
SCHEMBL3009129 0.81 KCNH2 (0.40) KITCHEK1KCNH2VCPPIK3CB
SCHEMBL3005194 0.80 ADORA1 (0.45) CHEK1KCNH2KMT2A

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 659/4885CNR1 1338/4885CNR2 806/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 KIT 659/4885CNR1 1338/4885CNR2 806/4885

“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.