SCHEMBL21774151

SCHEMBL21774151

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
QPCT Q16769 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTSC P53634 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
MLYCD O95822 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
KDR P35968 1/20 0.34
SCD O00767 1/20 0.34
IKBKB O14920 2/20 0.34
RARA P10276 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL21774262 0.83 CSNK2A1 (0.43) CSNK2A1QPCTNPC1RAB9ARARB
SCHEMBL21774181 0.80 QPCT (0.40) CSNK2A1QPCTCTSCBACE1
SCHEMBL20924228 0.77 HSD17B1 (0.47) ALDH1A1QPCTNPC1RAB9A
SCHEMBL2403445 0.74 SLC6A2 (0.47) QPCTCTSCMLYCDHDAC3HDAC1
SCHEMBL21774198 0.73 CSNK2A1 (0.42) CSNK2A1ALDH1A1MAPK1TDP1QPCT
SCHEMBL21774278 0.72 SMN1; SMN2 (0.43) ALDH1A1NPC1RAB9ATRPV1
SCHEMBL21774242 0.71 EGLN2 (0.40) QPCTCTSC
SCHEMBL20924388 0.70 HSD17B1 (0.60)
SCHEMBL170964 0.70 XDH (0.44) ALDH1A1MAPK1TRPV1
SCHEMBL174832 0.69 CYP3A4 (0.41) CSNK2A1BACE1TRPV1

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
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
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

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 2448/4885ALDH1A1 925/4885MAPK1 3867/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS CSNK2A1 2448/4885ALDH1A1 925/4885MAPK1 3867/4885

“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.