SCHEMBL4646264

SCHEMBL4646264

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTK2 Q05397 1/20 0.33
HSPB1 P04792 1/20 0.33
PLEC Q15149 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
NPC1 O15118 1/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 3/20 0.32

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
SCHEMBL4649334 0.83 PTK2 (0.45) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4648405 0.77 POLB (0.39) POLBMEN1KMT2AMAPTRECQL
Trifluoromethanesulfonic Acid SCHEMBL27781891 0.76 POLB (0.38) POLBMEN1KMT2AMAPTRECQL
SCHEMBL4648585 0.74 NPC1 (0.38) POLBMEN1KMT2AMAPTRECQL
SCHEMBL14062010 0.73 PLA2G4A (0.39) ESR2SMN1; SMN2PTGS2PTGS1
SCHEMBL376853 0.72 HSPB1 (0.47) KMT2AMAPTHSPB1PDE4APDE4C
SCHEMBL28366232 0.71 KIF11 (0.45) POLBMEN1KMT2AMAPTRECQL
SCHEMBL4645982 0.71 POLB (0.38) POLBMEN1KMT2AMAPTHSPB1
SCHEMBL4646197 0.71 ALDH1A1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4646690 0.70 ALDH1A1 (0.40) POLBMEN1KMT2AMAPTRECQL

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 ESR2 3104/4885POLB 2139/4885MEN1 4208/4885

“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.