SCHEMBL3862467

SCHEMBL3862467

Nc1cc(SCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.50
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
DTYMK P23919 1/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
FFAR1 O14842 1/20 0.43
CTSB P07858 1/20 0.41
ELANE P08246 1/20 0.41
DUSP3 P51452 1/20 0.41
GRK6 P43250 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3862471 1.00 APEX1 (0.50) APEX1MAPK1TDP1TSHRDTYMK
SCHEMBL8349274 0.83 MAPT (0.48) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL11962582 0.80 TDP1 (0.50) MAPK1TDP1TSHRDTYMKMAPT
SCHEMBL11483675 0.80 MAPT (0.54) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL11483285 0.78 MEN1 (0.49) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL30468979 0.78 MEN1 (0.49) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL1538922 0.77 MAPT (0.56) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL11485437 0.77 MCL1 (0.55) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL20982775 0.76 MAPT (0.46) MAPK1TDP1TSHRMAPTLMNA
SCHEMBL11124749 0.76 TDP1 (0.49) MAPK1TDP1TSHRDTYMKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20050272740-A1 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-12-08 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 (3 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 APEX1 2629/4885MAPK1 3981/4885TDP1 79/4885
US-20050272740-A1 Benzimidazole derivatives F12, F11, SERPINC1 APEX1 4401/4885MAPK1 2683/4885TDP1 396/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 APEX1 2629/4885MAPK1 3981/4885TDP1 79/4885

“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.