SCHEMBL3475552

SCHEMBL3475552

CCCCCS(=O)(=O)n1cnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
ALDH3A1 P30838 3/20 0.50
POLB P06746 3/20 0.50
NOD1 Q9Y239 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR6 P50406 2/20 0.47
ASAH1 Q13510 1/20 0.47
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20472330 0.89 HTT (0.54) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL21820015 0.84 HTT (0.58) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL11588323 0.78 ASAH1 (0.46) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL11586820 0.78 ASAH1 (0.46) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL28309321 0.78 HTT (0.53) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL5858382 0.76 ASAH1 (0.47) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL10503285 0.75 ALDH3A1 (0.62) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL7100805 0.74 ALDH3A1 (0.61) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL7209144 0.74 HSD17B10 (0.52) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL4736616 0.73 SLC9A1 (0.54) POLBTSHRASAH1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558067-A 1-arylsulfonyl-1H-benzimidazole derivative and preparation method and application thereof UNIV SICHUAN 2012-07-11 CN claimed
CN-105237480-A 2-trifluoromethyl benzimidazole compound and preparation method thereof UNIV CHINA THREE GORGES CTGU 2016-01-13 CN disclosed
CN-102558067-A 1-arylsulfonyl-1H-benzimidazole derivative and preparation method and application thereof UNIV SICHUAN 2012-07-11 CN disclosed
US-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 US disclosed
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-11 US disclosed
US-4474947-A Benzazolides and their employment in phosphate ester oligonucleotide synthesis processes BIOSEARCH (US) 1984-10-02 US 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 HTT 2121/4885ALDH3A1 865/4885POLB 428/4885
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE HNF4A, NCOA4, NR1H4 HTT 2191/4885ALDH3A1 530/4885POLB 207/4885

“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.