SCHEMBL4710210

SCHEMBL4710210

O=[N+]([O-])c1cccc(/C=C/c2ccccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
MAPT P10636 6/20 1.00
ALDH1A1 P00352 6/20 1.00
NPC1 O15118 5/20 1.00
NFE2L2 Q16236 3/20 0.69
CYP19A1 P11511 1/20 0.62
SNCA P37840 1/20 0.58
FBP1 P09467 1/20 0.58
VCP P55072 1/20 0.58
CASP3 P42574 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 2/20 0.52
LMNA P02545 2/20 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
SCHEMBL4710212 1.00 RAB9A (1.00) RAB9AMAPTALDH1A1NPC1NFE2L2
SCHEMBL27535049 0.86 RAB9A (0.73) RAB9AMAPTALDH1A1NPC1NFE2L2
SCHEMBL15498134 0.83 NFE2L2 (0.89) RAB9AMAPTALDH1A1NPC1NFE2L2
SCHEMBL9805966 0.83 NPC1 (0.70) RAB9AMAPTALDH1A1NPC1CYP19A1
SCHEMBL9058120 0.83 NPC1 (0.70) RAB9AMAPTALDH1A1NPC1CYP19A1
SCHEMBL1405312 0.82 NFE2L2 (1.00) RAB9AMAPTALDH1A1NPC1NFE2L2
SCHEMBL1405314 0.82 NFE2L2 (1.00) RAB9AMAPTALDH1A1NPC1NFE2L2
Hydrochloric Acid SCHEMBL9388188 0.81 NPC1 (0.68) RAB9AMAPTALDH1A1NPC1CYP19A1
SCHEMBL11301074 0.80 CYP19A1 (0.93) RAB9AMAPTALDH1A1NPC1NFE2L2
SCHEMBL11301072 0.80 CYP19A1 (0.93) RAB9AMAPTALDH1A1NPC1NFE2L2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity ABIVAX (FR) 2020-01-21 US disclosed
US-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY ABIVAX (FR) 2018-05-10 US disclosed
US-9890112-B2 Compounds for use as therapeutic agents affecting p53 expression and/or activity ABIVAX (FR) 2018-02-13 US disclosed
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIETE SPLICOS (FR) 2014-07-24 US disclosed
EP-2694061-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY Société Splicos (FR) 2014-02-12 EP disclosed
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 WO disclosed
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 WO disclosed
EP-2505198-A1 Compounds for use as therapeutic agents affecting p53 expression and/or activity Société Splicos (FR) 2012-10-03 EP 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
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 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-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 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
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 (4 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-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, TP53BP1, BCOR RAB9A 615/4885MAPT 4288/4885ALDH1A1 3337/4885
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity TP53, TP53BP1, BCOR RAB9A 615/4885MAPT 4288/4885ALDH1A1 3337/4885
US-20140206690-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, CBR3, TP53BP1 RAB9A 572/4885MAPT 4183/4885ALDH1A1 3362/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 RAB9A 1092/4885MAPT 4677/4885ALDH1A1 339/4885

“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.