SCHEMBL4814588

SCHEMBL4814588

CC(=O)Nc1cccc2c1CCC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAOA P21397 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CASP3 P42574 1/20 0.48
PARP14 Q460N5 3/20 0.45
TYR P14679 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AHR P35869 1/20 0.43
ADRA2A P08913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNE2 O96020 1/20 0.42

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
SCHEMBL5582807 0.90 NPC1 (0.54) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL21393161 0.80 BTK (0.41) NPC1RAB9AALDH1A1GAAKDM4E
SCHEMBL4815159 0.79 ALDH1A1 (0.55) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL8312394 0.79 RAB9A (0.46) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL1658824 0.79 BAZ2B (0.43) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL7581652 0.78 PARP1 (0.56) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL15300166 0.78 BAZ2B (0.42) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL30957414 0.78 BAZ2B (0.42) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL5582059 0.78 BAZ2B (0.46) NPC1RAB9AMAOAALDH1A1HPGD
SCHEMBL5582929 0.76 TYR (0.50) NPC1RAB9AMAOAALDH1A1HPGD

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-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
EP-0752991-B1 IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
US-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 US disclosed
EP-0752991-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026349-A1 INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 NPC1 3037/4885RAB9A 2541/4885MAOA 1625/4885

“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.