SCHEMBL853577

SCHEMBL853577

NC(=O)c1ccc([N+](=O)[O-])cc1OCC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 5/20 0.51
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 1/20 0.48
CES2 O00748 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46
AGTR1 P30556 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
SCHEMBL9930228 0.90 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL28083080 0.80 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL6321927 0.78 ALOX5 (0.62) KMT2AALDH1A1MEN1MAPTCYP2C9
SCHEMBL855090 0.78 MAPT (0.78) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL11454145 0.75 KMT2A (0.63) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL22521800 0.74 MAPT (0.57) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL6815296 0.74 LMNA (0.58) KMT2AALDH1A1MEN1MAPTCYP1A2
SCHEMBL2983636 0.74 HTT (0.63) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL28174395 0.73 CYP19A1 (0.60) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL5641937 0.73 KDM4E (0.59) KMT2AALDH1A1MEN1MAPTCYP1A2

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 8 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
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP disclosed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 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 (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 1627/4885ALDH1A1 299/4885MEN1 4112/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 KMT2A 1627/4885ALDH1A1 299/4885MEN1 4112/4885

“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.