SCHEMBL4645930

SCHEMBL4645930

CC(=O)OCc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 6/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4232672 0.84 ITGA4 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL11068744 0.84 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL3229064 0.82 HSD17B10 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3826595 0.82 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL10034915 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL14930290 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2474262 0.81 ALDH1A1 (0.51) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL29625924 0.81 ALDH1A1 (0.51) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL28462063 0.81 ALDH1A1 (0.55) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL27736701 0.81 CYP1A2 (0.59) MEN1KMT2AALDH1A1HIF1ASMN1; SMN2

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 MEN1 4208/4885KMT2A 3539/4885ALDH1A1 1929/4885

“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.