SCHEMBL1132629

SCHEMBL1132629

CNCCNC(C)(C)c1cccnc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
NFE2L2 Q16236 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
APLNR P35414 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PLCG1 P19174 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
SCHEMBL12608406 0.86 SLC6A2 (0.45) SLC22A12NFE2L2APLNRSLC6A2SLC6A4
SCHEMBL1133204 0.85 SLC22A12 (0.40) SLC22A12NFE2L2APLNRSLC6A2SLC6A4
SCHEMBL12565776 0.81 SLC22A12 (0.37) SLC22A12NFE2L2APLNRSLC6A2SLC6A4
SCHEMBL12608085 0.80 CHRNB2 (0.38) SLC22A12NFE2L2APLNRCHRNB2CHRNA4
SCHEMBL1132823 0.76 SLC22A12 (0.38) SLC22A12NFE2L2HRH3APLNRCHRNB2
SCHEMBL1133388 0.75 GAA (0.42) SLC6A2SLC6A4ALDH1A1CYP3A4CYP2D6
SCHEMBL12610415 0.74 SLC6A2 (0.45) SLC22A12SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL77689 0.73 SLC22A12 (0.46) SLC22A12NFE2L2APLNRPLCG1P2RY1
SCHEMBL1132639 0.72 SLC6A2 (0.40) SLC22A12SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL21970992 0.71 SLC22A12 (0.42) SLC22A12NFE2L2APLNRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 SLC22A12 4696/4885NFE2L2 2667/4885HRH3 4290/4885

“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.