SCHEMBL4041670

SCHEMBL4041670

[c]1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
SCN2A Q99250 2/20 0.39
NPY5R Q15761 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGDS O60760 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
BTK Q06187 1/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL403894 0.96 MTOR (0.43) MTORADKNISCHSCN2ANPY5R
SCHEMBL4043823 0.82 MKNK1 (0.41) NPY5RCYP1A2CYP3A4
SCHEMBL17626003 0.79 KDM4E (0.41) SCN2ANPY5RALDH1A1NR1H2NR1H3
SCHEMBL28536156 0.79 NISCH (0.47) NISCHALDH1A1NR1H2NR1H3DCUN1D1
SCHEMBL4049587 0.79 ALDH1A1 (0.41) MTORALDH1A1CYP3A4HSD17B10MMP3
SCHEMBL4047558 0.79 DGAT1 (0.37) ALDH1A1NR1H2NR1H3MAPK13MAPK12
SCHEMBL2652005 0.79 SMN1; SMN2 (0.38) ALDH1A1MAPK13RAF1MAPK12MAPK11
SCHEMBL28539117 0.78 PRMT5 (0.51) CYP1A2MEN1KMT2ANPC1GAA
SCHEMBL4044851 0.77 CYP11B1 (0.45) NISCHALDH1A1CYP1A2NOTUMKDM4E
SCHEMBL4046862 0.76 MEN1 (0.55) NPY5RALDH1A1HPGDSCYP1A2MAPK1

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-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MTOR 1818/4885ADK 2271/4885NISCH 1902/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MTOR 1892/4885ADK 2022/4885NISCH 1980/4885

“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.