SCHEMBL4648405

SCHEMBL4648405

O=c1c2cc(F)c(O)cc2ccn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLEC Q15149 1/20 0.39
NPC1 O15118 1/20 0.37
SRC P12931 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
PTGS2 P35354 1/20 0.36
KAT2B Q92831 1/20 0.36
GAA P10253 1/20 0.35
MIF P14174 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
MPL P40238 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
SCHEMBL4648585 0.82 NPC1 (0.38) POLBMEN1KMT2APLECNPC1
SCHEMBL4649334 0.82 PTK2 (0.45) POLBMEN1KMT2APLECPTGS2
SCHEMBL1548530 0.81 LMNA (0.42) POLBMEN1KMT2APLECNPC1
SCHEMBL4646264 0.77 ESR2 (0.36) POLBMEN1KMT2APLECNPC1
SCHEMBL4646197 0.76 ALDH1A1 (0.47) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL1548441 0.75 MAPT (0.44) POLBMEN1KMT2APLECNPC1
SCHEMBL4646690 0.75 ALDH1A1 (0.40) POLBMEN1KMT2APLECNPC1
Trifluoromethanesulfonic Acid SCHEMBL27781891 0.75 POLB (0.38) POLBMEN1KMT2APLECNPC1
SCHEMBL9920084 0.74 MEN1 (0.55) POLBMEN1KMT2APLECNPC1
SCHEMBL9508601 0.74 SRC (0.42) SRCPRKACAPRKACGPRKACBNOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 2139/4885MEN1 4208/4885KMT2A 3539/4885

“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.