SCHEMBL2849102

SCHEMBL2849102

S=[C]NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CHRM2 P08172 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NAAA Q02083 1/20 0.44

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
SCHEMBL772291 0.80 SMN1; SMN2 (0.56) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
SCHEMBL29438821 0.76 CHRM2 (0.70) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
SCHEMBL230222 0.76 CHRM2 (0.70) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
SCHEMBL6006766 0.74 VNN1 (0.40)
SCHEMBL6008601 0.74 NAAA (0.37) ALDH1A1KDM4ENAAA
SCHEMBL25211342 0.74 CHRM2 (0.68) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
SCHEMBL18493706 0.74 CHRM2 (0.68) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
SCHEMBL317984 0.74 CHRM2 (0.68) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
Zinc Ion SCHEMBL30205248 0.74 CHRM2 (0.68) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1
Zinc Ion SCHEMBL30442739 0.74 CHRM2 (0.68) MAOAMAOBSMN1; SMN2CHRM2L3MBTL1

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-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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 (2 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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP MAOA 3161/4885MAOB 3376/4885SMN1; SMN2 1991/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 MAOA 558/4885MAOB 664/4885SMN1; SMN2 4010/4885

“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.