SCHEMBL26606496

SCHEMBL26606496

CCN1CCN(Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ LRRK2 Q5S007 1/20 0.58
▸ SCD O00767 6/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ ADORA2A P29274 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ KDM1A O60341 1/20 0.54

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
SCHEMBL26606567 0.92 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26606555 0.90 ADORA2A (0.58) PCSK9NPC1RAB9AMEN1KMT2A
SCHEMBL26606514 0.90 KDM4E (0.61) PCSK9NPC1RAB9AMEN1KMT2A
SCHEMBL27193117 0.88 ADORA2A (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26606549 0.88 ADORA2A (0.56) PCSK9NPC1RAB9AMEN1KMT2A
SCHEMBL30576793 0.88 ADORA2A (0.56) PCSK9NPC1RAB9AMEN1KMT2A
SCHEMBL26606460 0.87 NPC1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29263358 0.87 NPC1 (0.55) PCSK9NPC1RAB9AMEN1KMT2A
SCHEMBL26606439 0.87 ADORA2A (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL30576830 0.86 ADORA2A (0.55) PCSK9NPC1RAB9AMEN1KMT2A

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 PCSK9 1582/4885NPC1 1296/4885RAB9A 2738/4885

“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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