SCHEMBL1393124

SCHEMBL1393124

O=C(O)N1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.56
NAMPT P43490 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HPGD P15428 1/20 0.47
HSP90AA1 P07900 1/20 0.46
AKR1C3 P42330 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ADRA2A P08913 1/20 0.44
PNMT P11086 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CPT2 P23786 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
SCHEMBL396861 0.88 HPGD (0.56) DPP7HPGDAKR1C3MEN1KMT2A
SCHEMBL30875692 0.88 HPGD (0.56) DPP7HPGDAKR1C3MEN1KMT2A
SCHEMBL14590719 0.85 DPP7 (0.59) DPP7NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL29987549 0.81 DPP7 (0.52) DPP7NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3196795 0.81 DPP7 (0.55) DPP7NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL13485370 0.81 DPP7 (0.58) DPP7NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL2634496 0.81 DPP7 (0.52) DPP7NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL28408084 0.81 DPP7 (0.46) DPP7NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL17797648 0.81 HPGD (0.51) HPGDHSP90AA1AKR1C3MEN1KMT2A
SCHEMBL13485294 0.78 DPP7 (0.55) DPP7NAMPTTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2019-07-09 US disclosed
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2018-08-21 US disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 US disclosed
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 US disclosed
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO disclosed
EP-2566869-B1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT INC (US) 2016-03-02 EP disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 US disclosed
US-8618107-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2013-12-31 US disclosed
EP-2566869-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE Gilead Connecticut, Inc. (US) 2013-03-13 EP disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 WO disclosed
US-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
EP-0587180-A2 Aryl urea (Thiourea) and cyanoguanidine derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 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 (7 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-10344040-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK DPP7 3343/4885NAMPT 629/4885TAS1R3 3025/4885
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK DPP7 3343/4885NAMPT 629/4885TAS1R3 3025/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK DPP7 3343/4885NAMPT 629/4885TAS1R3 3025/4885
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DPP7 98/4885NAMPT 517/4885TAS1R3 4447/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK DPP7 3343/4885NAMPT 629/4885TAS1R3 3025/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK DPP7 3343/4885NAMPT 629/4885TAS1R3 3025/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK DPP7 3080/4885NAMPT 645/4885TAS1R3 2959/4885

“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.