SCHEMBL6793571

SCHEMBL6793571

CCOC(=O)c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.76
NPC1 O15118 10/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
MAPT P10636 4/20 0.76
ALDH1A1 P00352 3/20 0.76
MAPK1 P28482 2/20 0.76
LMNA P02545 1/20 0.76
POLB P06746 2/20 0.76
PKM P14618 1/20 0.76
GAA P10253 1/20 0.74
HSD17B10 Q99714 1/20 0.68
HTT P42858 2/20 0.68
KMT2A Q03164 6/20 0.67
TSHR P16473 1/20 0.67
MEN1 O00255 4/20 0.66
ABCB1 P08183 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
HPGD P15428 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64

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
SCHEMBL9445241 0.90 RAB9A (0.75) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL15183732 0.90 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28007798 0.89 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28003955 0.88 KMT2A (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9185209 0.87 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28007803 0.87 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7787088 0.87 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14096496 0.87 ALDH1A1 (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10939388 0.86 SMN1; SMN2 (0.91) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL15183729 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170314007-A1 MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET CHINA THREE GORGES UNIVERSITY (CN) 2017-11-02 US disclosed
US-20170314007-A1 MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET CHINA THREE GORGES UNIVERSITY (CN) 2017-11-02 US disclosed
CN-104739820-A Small molecule inhibitor and application thereof to inhibiting ornithine decarboxylase (ODC) UNIV CHINA THREE GORGES CTGU 2015-07-01 CN disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (2 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-20170314007-A1 MEDICAMENT DESIGN POCKET OF ORNITHINE DECARBOXYLASE AND APPLICATION OF MEDICAMENT DESIGN POCKET ODC1, PLPBP, OTC RAB9A 4869/4885NPC1 4435/4885SMN1; SMN2 4845/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 RAB9A 1092/4885NPC1 875/4885SMN1; SMN2 3337/4885

“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.