SCHEMBL21774262

SCHEMBL21774262

CC(=O)c1ccc(-c2cnc(C3CC3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
TP53 P04637 1/20 0.40
QPCT Q16769 2/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HSD17B1 P14061 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STK17B O94768 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NR2F2 P24468 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDE4D Q08499 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL21774151 0.83 CSNK2A1 (0.41) CSNK2A1HDAC6QPCTRARBRARG
SCHEMBL20924228 0.80 HSD17B1 (0.47) QPCTHSD17B1MAPTNPC1RAB9A
SCHEMBL2403445 0.76 SLC6A2 (0.47) HDAC6QPCTHDAC3HDAC1
SCHEMBL29786817 0.76 KDR (0.46)
SCHEMBL21774181 0.76 QPCT (0.40) CSNK2A1QPCTBRD4
SCHEMBL1474932 0.74 CSNK2A1 (0.48) CSNK2A1RARBRARGHRH3PDE4D
SCHEMBL174832 0.74 CYP3A4 (0.41) CSNK2A1
SCHEMBL173720 0.73 DGAT1 (0.56) HDAC6LMNAHDAC3
SCHEMBL21774242 0.73 EGLN2 (0.40) QPCTMAPT
SCHEMBL27259607 0.73 ALDH1A1 (0.41) MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113613652-B Benzimidazole compounds and their use in the treatment of alzheimer's disease or huntington's disease 台湾卫生研究院 2022-08-23 CN disclosed
CN-113613652-A Benzimidazole compounds and their use for treating alzheimer's disease or huntington's disease 台湾卫生研究院 2021-11-05 CN disclosed
EP-3843724-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE National Health Research Institutes (TW) 2021-07-07 EP disclosed
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-10 US disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 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 (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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS CSNK2A1 2448/4885HDAC6 401/4885TP53 3631/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS CSNK2A1 2448/4885HDAC6 401/4885TP53 3631/4885

“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.