SCHEMBL4048566

SCHEMBL4048566

[c]1c[nH]c(-c2cc(-c3ccccc3)ncn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.46
MIF P14174 1/20 0.46
KMO O15229 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMO Q99835 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4050231 0.79 CYP1A2 (0.40) ASIC3CYP1A2CYP2C9CYP2C19SMO
SCHEMBL4044973 0.79 ASIC3 (0.45) ASIC3MIFCYP1A2SMO
SCHEMBL4046862 0.77 MEN1 (0.55) ASIC3SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL403894 0.77 MTOR (0.43) NPC1RAB9ACYP1A2KMT2AMAPT
SCHEMBL284286 0.76 ASIC3 (0.71) ASIC3MIFKMOSMN1; SMN2NPC1
SCHEMBL4047399 0.75 ASIC3 (0.47) ASIC3MIFKMOSMN1; SMN2NPC1
SCHEMBL14667339 0.75 ASIC3 (0.47) ASIC3MIFKMOSMN1; SMN2NPC1
SCHEMBL4050439 0.74 CYP11B2 (0.42) RAB9ACYP1A2KMT2AMEN1L3MBTL1
SCHEMBL29406194 0.74 ASIC3 (0.68) ASIC3MIFKMOSMN1; SMN2NPC1
SCHEMBL27904874 0.74 ASIC3 (0.68) ASIC3MIFKMOSMN1; SMN2NPC1

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 ASIC3 2935/4885MIF 852/4885KMO 175/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ASIC3 2996/4885MIF 1099/4885KMO 172/4885

“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.