SCHEMBL4046965

SCHEMBL4046965

[c]1nc(-c2cccc(-c3ccccc3)n2)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
ASIC3 Q9UHC3 1/20 0.44
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSP90AA1 P07900 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL63014 0.85 RAB9A (0.41) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL4050082 0.83 CYP1A2 (0.41) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL4047707 0.81 AKT1 (0.42) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL4043829 0.78 NPC1 (0.43) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL16077969 0.78 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL5945940 0.78 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL4049981 0.76 KMO (0.40) MEN1KMT2ARAB9ANPC1AKT1
SCHEMBL4046860 0.76 PIM1 (0.33) CCR1CCR8PIM1PIM3PIM2
SCHEMBL4049452 0.76 ASIC3 (0.47) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL58442 0.76 MEN1 (1.00) MEN1KMT2ARAB9AASIC3ALDH1A1

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 MEN1 207/4885KMT2A 2946/4885RAB9A 2657/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MEN1 198/4885KMT2A 2851/4885RAB9A 2739/4885

“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.