SCHEMBL2219482

SCHEMBL2219482

O=C1c2ccccc2C(=O)N1OCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 1/20 0.58
HSD17B10 Q99714 2/20 0.55
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.48
SYK P43405 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7751846 0.84 HSD17B10 (0.60) ALDH1A1MEN1KMT2APKMHSD17B10
SCHEMBL7751828 0.81 HSD17B10 (0.57) ALDH1A1MEN1KMT2APKMHSD17B10
SCHEMBL2935415 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4347031 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL13477401 0.78 KMT2A (0.47) ALDH1A1MEN1KMT2APKMHSD17B10
SCHEMBL15071827 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL13477405 0.76 MEN1 (0.48) ALDH1A1MEN1KMT2APKMHSD17B10
SCHEMBL1557163 0.76 MEN1 (0.48) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL6921729 0.76 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL13140601 0.76 MEN1 (0.52) ALDH1A1MEN1KMT2APKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
EP-2523951-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-11-21 EP disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011088303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES , INC. (US) 2011-07-21 WO disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 US disclosed
EP-0244637-A1 Starting compounds for 7-acylamino-3-vinylcephalosporanic acid derivatives and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-11-11 EP disclosed
EP-0030630-B1 7-ACYLAMINO-3-VINYLCEPHALOSPORANIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; THEIR STARTING COMPOUNDS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed
US-4585860-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
EP-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 US disclosed
US-4409214-A Including cefixime; antibiotics FUJISAWA PHARMACEUTICAL, CO., LTD. (JP) 1983-10-11 US disclosed
EP-0030630-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-24 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 (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-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885MEN1 4324/4885KMT2A 3967/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 ALDH1A1 2105/4885MEN1 3694/4885KMT2A 2079/4885
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885MEN1 4324/4885KMT2A 3967/4885

“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.