SCHEMBL4047454

SCHEMBL4047454

Clc1ccccc1-c1cc2[nH][c]nn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALPL P05186 1/20 0.36
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 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
SCHEMBL4052659 0.82 ADORA3 (0.39) IDO1SMN1; SMN2MAPTMEN1HPGD
SCHEMBL5382512 0.68 KDM5B (0.42) IDO1MAPTALPLNPC1ALDH1A1
SCHEMBL6855000 0.66 SMN1; SMN2 (0.43) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL14996583 0.62 HSD11B1 (0.50) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL13737700 0.62 HSP90AA1 (0.49) IDO1HSP90AA1HSP90AB1SMN1; SMN2HPGD
SCHEMBL1896855 0.61 IDO1 (0.43) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL1316478 0.61 IDO1 (0.47) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL4636926 0.61 IDO1 (0.52) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL16664821 0.61 HSD11B1 (0.44) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL3252001 0.60 IDO1 (0.55) IDO1HSP90AA1HSP90AB1SMN1; SMN2MAPT

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 IDO1 183/4885HSP90AA1 3989/4885HSP90AB1 4192/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 263/4885HSP90AA1 4044/4885HSP90AB1 4237/4885

“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.