SCHEMBL4845280

SCHEMBL4845280

N#Cc1c(Nc2ccc(F)cc2[N+](=O)[O-])sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.41
ALDH3A1 P30838 1/20 0.38
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EPAS1 Q99814 2/20 0.36
MAPK10 P53779 1/20 0.36
HTT P42858 2/20 0.35
HCAR3 P49019 1/20 0.34
WNK1 Q9H4A3 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4840460 0.91 TDP1 (0.37) KCNMA1MAPTTDP1POLBMAPK1
SCHEMBL4837176 0.88 HTT (0.38) ALDH3A1MAPTTDP1POLBMAPK1
SCHEMBL6993884 0.87 EPAS1 (0.43) KCNMA1ALDH3A1MAPTTDP1POLB
SCHEMBL4839033 0.86 MAPK1 (0.47) KCNMA1MAPTPOLBMAPK1ALDH1A1
SCHEMBL4879805 0.86 MAPK1 (0.46) MAPTTDP1MAPK1ALDH1A1L3MBTL1
SCHEMBL7000491 0.82 ATM (0.38) KCNMA1ALDH3A1MAPTTDP1POLB
SCHEMBL6998222 0.78 IDO1 (0.39) MAPTPOLBMAPK1ALDH1A1L3MBTL1
SCHEMBL6995064 0.78 KAT2B (0.36) ALDH3A1MAPTTDP1POLBMAPK1
SCHEMBL11531612 0.76 MAPK10 (0.52) MAPTPOLBALDH1A1L3MBTL1MAPK10
SCHEMBL6992038 0.76 L3MBTL1 (0.43) MAPTTDP1MAPK1ALDH1A1L3MBTL1

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
EP-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
US-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2002-04-11 US disclosed
US-6271225-B1 PSYCHOLOGICAL DISORDERS WELFIDE CORPORATION (JP) 2001-08-07 US disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 EP 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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof ACIN1, ACHE, TPMT KCNMA1 2043/4885ALDH3A1 1304/4885MAPT 15/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 KCNMA1 408/4885ALDH3A1 388/4885MAPT 1793/4885

“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.