SCHEMBL2258317

SCHEMBL2258317

Cc1cccc(CNCCO)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
CD274 Q9NZQ7 11/20 0.46
PDCD1 Q15116 8/20 0.46
VSIR Q9H7M9 5/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDCD1LG2 Q9BQ51 2/20 0.43
SLC40A1 Q9NP59 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9777407 0.87 SMN1; SMN2 (0.68) SMN1; SMN2KDM1AMAOAMAOBSLC40A1
SCHEMBL7653614 0.87 CXCR4 (0.47) SMN1; SMN2CD274PDCD1VSIRPDCD1LG2
SCHEMBL943003 0.85 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBNPSR1
SCHEMBL22564633 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBSLC40A1
SCHEMBL9777453 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBSLC40A1
SCHEMBL10483914 0.82 SMN1; SMN2 (0.62) SMN1; SMN2CD274PDCD1KDM1AMAOA
SCHEMBL19603134 0.81 SMN1; SMN2 (0.60) SMN1; SMN2KDM1AMAOAMAOBSLC40A1
SCHEMBL1038536 0.79 SMN1; SMN2 (0.58) SMN1; SMN2CD274KDM1AMAOAMAOB
SCHEMBL10483884 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KDM1AMAOAMAOB
SCHEMBL21986550 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460453-B Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD 2012-10-03 CN disclosed
US-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 US disclosed
CN-101460453-A Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD (CH) 2009-06-17 CN disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 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 (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-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 SMN1; SMN2 1760/4885CD274 3412/4885PDCD1 3667/4885

“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.