SCHEMBL26606457

SCHEMBL26606457

CCCNC(=O)N1CCN(Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ NPC1 O15118 7/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LRRK2 Q5S007 1/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ SCD O00767 3/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ PCSK9 Q8NBP7 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL30576830 1.00 ADORA2A (0.55) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL30576793 0.93 ADORA2A (0.56) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL26606549 0.93 ADORA2A (0.56) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL29769906 0.90 ADORA2A (0.57) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL26606533 0.90 ADORA2A (0.57) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL29263334 0.89 NPC1 (0.58) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL26606555 0.87 ADORA2A (0.58) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL26606496 0.86 PCSK9 (0.59) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL29769910 0.86 FAAH (0.60) ADORA2AADORA1NPC1RAB9AKDM4E
SCHEMBL26606543 0.86 FAAH (0.60) ADORA2AADORA1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116897-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-04-11 — — US disclosed
EP-4269394-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2023-11-01 — — EP disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 — — CN disclosed
WO-2022164135-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2022-08-04 — — WO 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-20240116897-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT SIRT7, SIRT1, BRD7 ADORA2A 4682/4885ADORA1 3886/4885NPC1 1296/4885

“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.

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