SCHEMBL289887

SCHEMBL289887

[CH2]CNC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
CA9 Q16790 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL1742301 0.88 NPC1 (0.60) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28791140 0.84 TP53 (0.66) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL726223 0.83 GAA (0.63) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3192014 0.81 LMNA (0.77) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8215174 0.81 GAA (1.00) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1014753 0.79 NPC1 (0.66) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL619878 0.79 GAA (0.71) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5858228 0.79 GAA (0.71) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10986439 0.78 LMNA (0.61) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3282470 0.78 CYP1A2 (0.61) GAANPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805367-B Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2023-04-07 CN claimed
CN-114805367-A Triazole pyrimidine derivative and preparation method and application thereof 郑州大学 2022-07-29 CN claimed
CN-105693517-A 3,4-dihydroxyl phenethyl alcohol fibrate carboxylic ester compound and preparation method and application thereof 西安交通大学 2016-06-22 CN claimed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP claimed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US claimed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US claimed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP claimed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
EP-0060094-B1 GUANIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-22 EP claimed
EP-0150099-A1 Guanidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-31 EP claimed
US-4496564-A HISTAMINE H-2 ANTIGONISTS ICI AMERICAS INC. (US) 1985-01-29 US claimed
US-4447441-A ANTIHISTAMINE, ANTIULCER AND ANTISECRETORY AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-08 US claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
EP-0060094-A2 Guanidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-15 EP claimed
EP-0060093-A2 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-15 EP claimed
US-4342765-A Guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-03 US claimed
US-4251628-A HYDROLYSIS OF OLIGOPEPTIDES FOR RADIOISOTOPE ASSAY VENTREX LABORATORIES, INC. 1981-02-17 US claimed
EP-0014057-A1 Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-08-06 EP claimed

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-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 GAA 2478/4885NPC1 3331/4885RAB9A 2019/4885

“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.