SCHEMBL4047707

SCHEMBL4047707

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
RAB9A P51151 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
KEAP1 Q14145 1/20 0.36
CYP1A2 P05177 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
XDH P47989 1/20 0.36

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 0.96 RAB9A (0.41) AKT1AKT2RAB9AMEN1KMT2A
SCHEMBL4049981 0.86 KMO (0.40) AKT1AKT2RAB9AMEN1KMT2A
SCHEMBL27577279 0.83 NPC1 (0.46) RAB9ANPC1XDH
SCHEMBL4046262 0.82 MKNK1 (0.41) AKT1AKT2GABRA1GABRG2GABRB3
SCHEMBL4046965 0.81 MEN1 (0.57) AKT1AKT2RAB9AMEN1KMT2A
SCHEMBL4051854 0.81 ASIC3 (0.46) NPC1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1119940 0.79 METAP2 (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1202001 0.79 NOTUM (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL27606211 0.79 METAP2 (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4047528 0.79 MAPT (0.43) RAB9AMEN1KMT2ANPC1SMN1; 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 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 AKT1 4215/4885AKT2 4190/4885RAB9A 2657/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R AKT1 4054/4885AKT2 4102/4885RAB9A 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.