SCHEMBL1014725

SCHEMBL1014725

N=C(NO)c1cccc2c(=O)[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.53
PARP15 Q460N3 1/20 0.53
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 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
SCHEMBL178109 0.78 AHR (0.48)
SCHEMBL29532188 0.77 PARP1 (0.53) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL22230076 0.77 PARP1 (0.53) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1893432 0.76 KDM4E (0.65) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2521184 0.75 PARP1 (0.58) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL7834349 0.71 HDAC8 (0.62) ALDH1A1KDM4ELMNACYP1A2HPGD
SCHEMBL1014726 0.71 PARP1 (0.53) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL11983599 0.71 PARP1 (0.53) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL9397157 0.71 PARP1 (0.53) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2172575 0.70 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO 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 (1 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 PARP1 2417/4885ALDH1A1 427/4885HSD17B10 257/4885

“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.