SCHEMBL733060

SCHEMBL733060

COC(=O)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 3/20 0.44
SLC6A4 P31645 1/20 0.43
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40

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
SCHEMBL11422463 0.83 SMN1; SMN2 (0.50) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6153970 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL27822973 0.81 MAPT (0.44) MEN1KMT2APOLBSLC6A4HTT
SCHEMBL7584692 0.81 MAPT (0.42) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL11425982 0.80 TSHR (0.51) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL3049742 0.80 TP53 (0.49) MEN1KMT2APOLBPKMHTT
SCHEMBL6152726 0.77 POLB (0.44) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL11415004 0.77 PDE1C (0.51) KMT2APOLBHTTALDH1A1LMNA
SCHEMBL3788583 0.76 ALDH1A1 (0.41) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL16954054 0.75 POLB (0.49) MEN1KMT2APOLBPKMHTT

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
EP-1772493-B1 AZO DYE FUJIFILM CORP (JP) 2016-07-20 EP disclosed
EP-1965255-B1 Color filter and method for making the color filter FUJIFILM CORP (JP) 2015-08-12 EP disclosed
US-8968973-B2 Color filter and production method thereof, and solid-state image sensor using the same FUJIFILM CORPORATION (JP) 2015-03-03 US disclosed
CN-104114537-A Substituted benzylamine compounds, their use in medicine, and in particular the treatment of hepatitis c virus (hcv) infection ASTEX THERAPEUTICS LTD 2014-10-22 CN disclosed
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
US-8608842-B2 Infrared absorbing composition, infrared absorbing ink, recorded article, image recording method, and image detecting method FUJIFILM CORPORATION (JP) 2013-12-17 US disclosed
EP-2629149-A2 Colored curable composition, color filter and manufacturing method thereof Fujifilm Corporation (JP) 2013-08-21 EP disclosed
WO-2013064538-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 WO disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
EP-1564259-A1 Azo dye, colored curable composition, color filter and producing method therefor FUJI PHOTO FILM CO., LTD. (JP) 2005-08-17 EP disclosed
US-20050175908-A1 Azo dye, colored curable composition, color filter and producing method therefor FUJI PHOTO FILM CO., LTD. 2005-08-11 US disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION NR1H4, CFH, SLC10A1 MEN1 2004/4885KMT2A 1852/4885POLB 2352/4885
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK MEN1 2522/4885KMT2A 1770/4885POLB 318/4885

“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.