SCHEMBL6574280

SCHEMBL6574280

N#CCCOc1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MMP2 P08253 5/20 0.51
HRH3 Q9Y5N1 6/20 0.50
MAOB P27338 1/20 0.50
MMP3 P08254 5/20 0.47
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
TBXAS1 P24557 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL11767977 0.91 GAA (0.68) GAAALDH1A1MAPTMMP2HRH3
SCHEMBL7986752 0.86 ALDH1A1 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL31589172 0.84 GAA (0.61) GAAMMP2HRH3MMP3HRH2
SCHEMBL5519875 0.84 HRH3 (0.62) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL7384498 0.84 HRH3 (0.59) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL7983991 0.82 HRH3 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL5526919 0.82 HRH3 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL7387284 0.82 HRH3 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL12408526 0.82 HRH3 (0.66) ALDH1A1MAPTMMP2HRH3MAOB
SCHEMBL8415070 0.81 GAA (0.58) GAAALDH1A1HRH3MAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133628-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2015-05-14 US claimed
US-20130123542-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2013-05-16 US claimed
EP-2522688-A1 POLYAMINE AND METHOD FOR PRODUCING THE SAME Rhodia Operations (FR) 2012-11-14 EP claimed
US-20150133628-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2015-05-14 US disclosed
US-8853457-B2 Polyamine and method for producing thereof RHODIA OPERATIONS (FR) 2014-10-07 US disclosed
US-20130123542-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2013-05-16 US disclosed
EP-2522688-A1 POLYAMINE AND METHOD FOR PRODUCING THE SAME Rhodia Operations (FR) 2012-11-14 EP disclosed
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 GAA 1132/4885ALDH1A1 365/4885MAPT 2242/4885

“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.