SCHEMBL1424488

SCHEMBL1424488

Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.77
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.67
HDAC3 O15379 3/20 0.63
HDAC2 Q92769 2/20 0.63
NCOR2 Q9Y618 2/20 0.63
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 2/20 0.55
HDAC8 Q9BY41 1/20 0.55
POLB P06746 1/20 0.53
MLLT1 Q03111 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL26775744 0.92 HDAC1 (0.90) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL30739586 0.90 HDAC1 (0.75) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL29996129 0.88 HDAC1 (0.63) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL26416452 0.88 HDAC1 (0.63) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL15551664 0.87 HDAC1 (1.00) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL19392337 0.84 NPC1 (0.71) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL30369924 0.83 HDAC1 (0.77) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL6588596 0.83 HDAC1 (0.77) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL20577364 0.83 HDAC1 (0.66) HDAC1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL682876 0.83 PTGS1 (0.61) HDAC1NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081933-B1 PYRAZOLOPYRIMIDINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-23 EP disclosed
US-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-11-19 US disclosed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP disclosed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 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-20090286779-A1 PYRAZOLOPYRIMIDINES AS LIPID KINASE INHIBITORS ATR, ATM, CHEK1 HDAC1 285/4885NPC1 1299/4885RAB9A 2181/4885

“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.