SCHEMBL9930228

SCHEMBL9930228

NC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 4/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.52
MAPT P10636 6/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
ALOX5 P09917 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL853577 0.90 KMT2A (0.56) KMT2AMEN1ALDH1A1PTGDR2MAPT
SCHEMBL4649097 0.82 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL854051 0.79 MAPT (0.59) KMT2AMEN1ALDH1A1PTGDR2MAPT
SCHEMBL854683 0.79 MAPT (0.71) KMT2AMEN1ALDH1A1PTGDR2MAPT
SCHEMBL15486428 0.79 POLB (0.54) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL853865 0.78 MAPT (0.58) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL855090 0.78 MAPT (0.78) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28083080 0.78 KMT2A (0.56) KMT2AMEN1ALDH1A1PTGDR2MAPT
SCHEMBL6321927 0.76 ALOX5 (0.62) KMT2AMEN1ALDH1A1MAPTALOX5
SCHEMBL16430292 0.75 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E

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-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP disclosed
CN-102438986-B Isoquinolin-1 (2h) -one derivatives as parp-1 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-07-01 CN disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US disclosed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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 (2 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-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 KMT2A 1627/4885MEN1 4112/4885ALDH1A1 299/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 KMT2A 1627/4885MEN1 4112/4885ALDH1A1 299/4885

“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.