SCHEMBL4648670

SCHEMBL4648670

C#Cc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
ATM Q13315 1/20 0.58
PTPN11 Q06124 1/20 0.47
HSPB1 P04792 3/20 0.41
PDE7A Q13946 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
IDO1 P14902 1/20 0.37
VCAM1 P19320 2/20 0.37
TTR P02766 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.35
KCNMA1 Q12791 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SNCA P37840 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL27455671 0.83 TDP1 (0.60) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL589140 0.81 TDP1 (0.58) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL16962514 0.81 TDP1 (0.58) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL13982685 0.78 MAPK1 (0.58) TDP1PTPN11PDE7AALDH1A1TSHR
SCHEMBL216553 0.76 TDP1 (0.72) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL29745239 0.76 TDP1 (0.72) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL28626042 0.75 ATM (0.50) TDP1ATMHSPB1ALDH1A1CYP3A4
SCHEMBL57112 0.74 TDP1 (1.00) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL29385912 0.74 TDP1 (1.00) TDP1ATMHSPB1PDE7AALDH1A1
SCHEMBL18653913 0.74 CASP6 (0.64) TDP1TSHR

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
CN-1863789-B Substituted isoquinolinones PORTOLA PHARM INC 2010-06-09 CN disclosed
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R TDP1 226/4885ATM 499/4885PTPN11 2802/4885

“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.