SCHEMBL4435755

SCHEMBL4435755

CON(C)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.67
KDM4E B2RXH2 2/20 0.55
GLA P06280 1/20 0.55
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.48
VCAM1 P19320 1/20 0.44
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4833667 0.87 CASP6 (0.56) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5315134 0.83 ALDH1A1 (0.55) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL14561020 0.83 LMNA (0.59) HCAR3ALDH1A1MAPTTDP1LMNA
SCHEMBL18153017 0.83 MAPT (0.48) HCAR3ALDH1A1MAPTLMNAMAPK1
SCHEMBL5777374 0.83 ITGB1 (0.49) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1110902 0.82 HCAR3 (0.70) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL12924164 0.81 TSHR (0.60) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14561019 0.81 ERN1 (0.48) HCAR3KDM4EALDH1A1MAPTLMNA
SCHEMBL2772069 0.80 HCAR3 (1.00) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL989106 0.80 ATM (0.46) HCAR3ALDH1A1MAPTTDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (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-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 HCAR3 862/4885KDM4E 2763/4885GLA 1423/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 HCAR3 1980/4885KDM4E 4026/4885GLA 1008/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 HCAR3 1980/4885KDM4E 4026/4885GLA 1008/4885

“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.