SCHEMBL987111

SCHEMBL987111

Cc1ccc(C(N)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 5/20 0.42
STAT3 P40763 1/20 0.42
ACHE P22303 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KIF11 P52732 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
CHRNA7 P36544 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL16750532 1.00 ALOX5 (0.50) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL22255197 0.84 STAT3 (0.47) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL18133692 0.84 STAT3 (0.47) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL11728987 0.82 HSD17B10 (0.52) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL16287061 0.82 HSD17B10 (0.52) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL5300400 0.82 HSD17B10 (0.52) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL11213786 0.82 KIF11 (0.48) LMNAALDH1A1KIF11SMN1; SMN2EPHX1
SCHEMBL4615333 0.81 ALOX5 (0.53) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL11216047 0.80 ALOX5 (0.44) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL11690451 0.80 ALOX5 (0.44) ALOX5LMNAALDH1A1STAT3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9504676-B2 Molecules inhibiting a metabolic pathway involving the Syk protein tyrosine kinase and method for identifying said molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-11-29 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
US-9255062-B2 Fatty acid derivatives for oral administration endowed with high palatability RHEA INNOVATIONS S.R.L. (IT) 2016-02-09 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed
EP-1910311-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-04-16 EP disclosed
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US 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 (5 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALOX5 3051/4885LMNA 3015/4885ALDH1A1 4333/4885
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC6A3, SLC1A2 ALOX5 3302/4885LMNA 4301/4885ALDH1A1 1028/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALOX5 2929/4885LMNA 3115/4885ALDH1A1 4184/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALOX5 2929/4885LMNA 3115/4885ALDH1A1 4184/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 ALOX5 1638/4885LMNA 3364/4885ALDH1A1 1610/4885

“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.