SCHEMBL4530555

SCHEMBL4530555

[CH2]CNCCCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
CYP1A2 P05177 1/20 0.46
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
KDM5A P29375 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
HPGD P15428 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4A O75164 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL6968808 0.98 SIGMAR1 (0.45) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL6963725 0.94 SIGMAR1 (0.57) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL6971465 0.91 SIGMAR1 (0.53) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL6967497 0.89
SCHEMBL4468595 0.86 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL6973979 0.85 SIGMAR1 (0.47) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL4465067 0.84 SIGMAR1 (0.39) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL11655160 0.84 SIGMAR1 (0.52) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL6975542 0.83 SIGMAR1 (0.44) SIGMAR1CYP1A2KDM1AMAOAMAOB
SCHEMBL6968173 0.82 SIGMAR1 (0.42) SIGMAR1CYP1A2KDM5APHF8KDM2A

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
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 SIGMAR1 129/4885CYP1A2 720/4885KDM1A 1203/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 SIGMAR1 129/4885CYP1A2 720/4885KDM1A 1203/4885

“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.