SCHEMBL3606774

SCHEMBL3606774

Nc1cccc2c1SCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CA2 P00918 2/20 0.37
HTT P42858 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3606772 0.80 MAOA (0.42) MAOAMAOBEPHX2GAAGSK3A
SCHEMBL13150179 0.79 MAOA (0.41) MAOAMAOBEPHX2GAAGSK3A
SCHEMBL10510390 0.79 HPGD (0.47) MAOAMAOBEPHX2GAAGSK3A
SCHEMBL10993665 0.79 MAOA (0.49) MAOAMAOBEPHX2GAAGSK3A
SCHEMBL15522877 0.79 MAOA (0.41) MAOAMAOBEPHX2GAAGSK3A
SCHEMBL1548689 0.75 HTT (0.48) MAOAMAOBEPHX2GAAHTT
SCHEMBL9193832 0.73 ALDH1A1 (0.43) MAOAMAOBEPHX2GAAHTT
SCHEMBL10435538 0.72 MAOA (0.42) MAOAMAOBEPHX2GAAGSK3A
Hydrochloric Acid SCHEMBL15566085 0.72 PTPN5 (0.30) GSK3B
Hydrochloric Acid SCHEMBL15566087 0.72 PTPN5 (0.30) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4535079-A HYPOTENSIVE, ANTIARRHYTHMIA, ADRENERGIC BLOCKING AGENTS; VASODILATORS MEDIOLANUM FARMACEUTICI S.R.L. (IT) 1985-08-13 US claimed
EP-0106816-A2 Alkanolaminoxy derivatives of 3,4-dihydro-2H-1,4-benzothiazin-3-one, their production process, and their pharmaceutical use MEDIOLANUM FARMACEUTICI s.r.l. (IT) 1984-04-25 EP claimed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
US-6011033-A ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION KOWA CO., LTD. (JP) 2000-01-04 US disclosed
US-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 US disclosed
US-5756518-A EXHIBITS ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION; IS USEFUL IN TREATMENT OF ASTHMA KOWA CO., LTD. (JP) 1998-05-26 US disclosed
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MAOA 1461/4885MAOB 1349/4885EPHX2 1258/4885

“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.