SCHEMBL26606501

SCHEMBL26606501

O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCN(C(=O)NC3CCCCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NFKB2 Q00653 2/20 0.56
▸ RELA Q04206 2/20 0.56
▸ KDM1A O60341 1/20 0.55
▸ ADORA2A P29274 2/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ GLS O94925 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ DPP7 Q9UHL4 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
SCHEMBL30576821 1.00 NPC1 (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL29263336 0.88 NPC1 (0.61) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL29769906 0.86 ADORA2A (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL26606533 0.86 ADORA2A (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL30576786 0.85 ADORA2A (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL26606473 0.85 ADORA2A (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL26606491 0.84 ADORA2A (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL30576806 0.84 ADORA2A (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL27193117 0.84 ADORA2A (0.64) NPC1RAB9AKMT2AMEN1NFKB1
SCHEMBL26606567 0.84 NPC1 (0.67) NPC1RAB9AKMT2AMEN1NFKB1

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 NPC1 1296/4885RAB9A 2738/4885KMT2A 842/4885

“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.

Send feedback