SCHEMBL2189558

SCHEMBL2189558

CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.70
EPHX1 P07099 1/20 0.65
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.57
GAA P10253 2/20 0.56
THRB P10828 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALOX12 P18054 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PDPK1 O15530 1/20 0.52
CYTH3 O43739 1/20 0.52
AKT1 P31749 1/20 0.52

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
SCHEMBL29664585 0.86 ALDH1A1 (0.66) HTTPOLBALDH1A1GAATHRB
SCHEMBL3124112 0.86 ALDH1A1 (0.66) HTTPOLBALDH1A1GAATHRB
SCHEMBL31436946 0.85 HTT (0.80) HTTEPHX1POLBALDH1A1KMT2A
SCHEMBL1095433 0.85 HTT (0.80) HTTEPHX1POLBALDH1A1KMT2A
SCHEMBL5212053 0.82 MAPT (0.74) EPHX1POLBALDH1A1GAAL3MBTL1
SCHEMBL20560641 0.79 KMT2A (0.60) HTTPOLBALDH1A1GAATHRB
SCHEMBL2852173 0.78 KMT2A (0.69) HTTPOLBALDH1A1GAATHRB
SCHEMBL2852168 0.78 KMT2A (0.69) HTTPOLBALDH1A1GAATHRB
SCHEMBL10521825 0.77 KMT2A (0.57) HTTPOLBALDH1A1GAATHRB
SCHEMBL2312483 0.77 HTT (0.65) HTTPOLBALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 US disclosed
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF 4SC AG (DE) 2009-10-29 US disclosed
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 US disclosed
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
CN-101090899-A 2,5 and 2,6 disubstituted benzazole analogs useful as protein kinase inhibitors 4SC AG (DE) 2007-12-19 CN disclosed
EP-1833823-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2007-09-19 EP disclosed
WO-2006069740-A1 2, 5 AND 2, 6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-07-06 WO disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 US disclosed
EP-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 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 (4 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-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 HTT 4371/4885EPHX1 1997/4885POLB 2186/4885
US-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 HTT 4371/4885EPHX1 1997/4885POLB 2186/4885
US-20090270410-A1 BENZAZOLE ANALOGUES AND USES THEREOF CYP3A5, CYP3A7, CYP3A43 HTT 4380/4885EPHX1 1771/4885POLB 2301/4885
US-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 HTT 4384/4885EPHX1 3133/4885POLB 2168/4885

“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.