SCHEMBL4837176

SCHEMBL4837176

N#Cc1c(Nc2cc(F)c(F)cc2[N+](=O)[O-])sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.36
MERTK Q12866 1/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.33
MELK Q14680 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KAT2B Q92831 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CUL4A Q13619 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL4845280 0.88 KCNMA1 (0.41) HTTLMNAMAPTALDH1A1L3MBTL1
SCHEMBL4840460 0.88 TDP1 (0.37) HTTLMNAMERTKMAPTALDH1A1
SCHEMBL4879805 0.84 MAPK1 (0.46) HTTMAPTALDH1A1SMN1; SMN2ABCG2
SCHEMBL4839033 0.83 MAPK1 (0.47) HTTLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6993884 0.79 EPAS1 (0.43) HTTLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7000491 0.78 ATM (0.38) HTTLMNAMERTKMAPTALDH1A1
SCHEMBL6992038 0.74 L3MBTL1 (0.43) LMNAMERTKMAPTALDH1A1SMN1; SMN2
SCHEMBL6995064 0.74 KAT2B (0.36) LMNAMAPTALDH1A1KAT2BPOLB
SCHEMBL6991878 0.74 KMT2A (0.41) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4839339 0.72 MAPT (0.48) HTTLMNAMERTKMAPTALDH1A1

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 HTT 46/4885LMNA 4763/4885MERTK 4335/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 HTT 2206/4885LMNA 3401/4885MERTK 3709/4885

“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.