SCHEMBL5578769

SCHEMBL5578769

O=[N+]([O-])c1cccc(CN2CC[CH]CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 5/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPK1 P28482 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 1/20 0.55
GFER P55789 1/20 0.55
CACNB4 O00305 1/20 0.54
CACNA1A O00555 1/20 0.54
CACNA1G O43497 1/20 0.54
CACNG3 O60359 1/20 0.54
CACNA1F O60840 1/20 0.54
CACNA1H O95180 1/20 0.54

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
SCHEMBL15800712 0.91 ALDH1A1 (0.78) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL922597 0.88 ALDH1A1 (0.70) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL922442 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL3568406 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL18423069 0.85 ALDH1A1 (0.64) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2716970 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2657985 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL374227 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL30560053 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL29531890 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MEN1KMT2A

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-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US claimed
CN-106517049-B 360 ° of large parts turnover devices of one kind and its working method 江苏建筑职业技术学院 2018-07-20 CN disclosed
CN-104211685-A Thiomorpholine compounds containing substituted pyrrole alkyl groups INST MATERIA MEDICA CAMS 2014-12-17 CN disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 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-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885KDM4E 4438/4885TDP1 666/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885KDM4E 4438/4885TDP1 666/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA ALDH1A1 3567/4885KDM4E 4866/4885TDP1 1836/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ALDH1A1 2561/4885KDM4E 2148/4885TDP1 4872/4885

“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.