SCHEMBL26606578

SCHEMBL26606578

O=C(Nc1nc2ccccc2s1)c1ccc(Oc2ncc(F)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.69
▸ RAB9A P51151 7/20 0.69
▸ KDM4E B2RXH2 5/20 0.69
▸ HTT P42858 3/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69
▸ RELA Q04206 1/20 0.69
▸ SCD O00767 8/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MMP13 P45452 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ TOP1 P11387 2/20 0.54
▸ LRRK2 Q5S007 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ DHODH Q02127 1/20 0.53

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
SCHEMBL26606464 0.87 SCD (0.65) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL4915099 0.82 NPC1 (1.00) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL4910026 0.79 NPC1 (1.00) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL16291695 0.77 SCD (0.64) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL3053529 0.77 NPC1 (1.00) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL26606487 0.76 NPC1 (0.67) NPC1RAB9AKDM4EHTTSCD
SCHEMBL14807922 0.76 NPC1 (0.78) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL26606475 0.76 RAB9A (0.69) NPC1RAB9AKDM4ESCDMEN1
SCHEMBL17667171 0.76 NPC1 (0.85) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL2754053 0.76 SCD (0.93) NPC1RAB9AKDM4EHTTNFKB1

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 2738/4885KDM4E 373/4885

“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