SCHEMBL427022

SCHEMBL427022

NC(=O)c1c(CBr)no[n+]1[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
TBXA2R P21731 1/20 0.45
ABCB1 P08183 2/20 0.42
ABCC1 P33527 2/20 0.42
GLA P06280 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL429693 0.83 CA12 (0.50) CA12CA1CA2CA9TBXA2R
SCHEMBL10002291 0.81 CA12 (0.56) CA12CA1CA2CA9TBXA2R
SCHEMBL10002281 0.78 CA12 (0.53) CA12CA1CA2CA9TBXA2R
SCHEMBL8259009 0.75 CA12 (0.48) CA12CA1CA2CA9ABCB1
SCHEMBL11148691 0.72 ABCB1 (0.49) CA12CA1CA2CA9TBXA2R
SCHEMBL14390889 0.70 ABCB1 (0.42) CA12CA1CA2CA9TBXA2R
SCHEMBL10222404 0.70 ABCB1 (0.42) CA12CA1CA2CA9TBXA2R
SCHEMBL10002287 0.70 CA12 (0.51) CA12CA1CA2CA9TBXA2R
SCHEMBL2405742 0.69 CA12 (0.53) CA12CA1CA2CA9TBXA2R
SCHEMBL10002285 0.69 CA12 (0.53) CA12CA1CA2CA9TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376461-B1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY HUMANITAS MIRASOLE SPA (IT) 2015-03-11 EP disclosed
US-8592464-B2 Nitric oxide furoxan derivative compounds endowed with antitumoral activity HUMANITAS MIRASOLE S.P.A. (IT) 2013-11-26 US disclosed
US-20120021007-A1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY ISTITUTO ONCOLOGICO VENETO IRCCS (IT) 2012-01-26 US disclosed
EP-2376461-A1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY Humanitas Mirasole S.p.A. (IT) 2011-10-19 EP disclosed
WO-2010081877-A1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY HUMANITAS MIRASOLE S.P.A. (IT) 2010-07-22 WO disclosed
WO-2010081488-A1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY HUMANITAS MIRASOLE S.P.A. (IT) 2010-07-22 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-20120021007-A1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY NOS2, NOS1, NOS3 CA12 3227/4885CA1 3241/4885CA2 1866/4885

“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.