SCHEMBL4045966

SCHEMBL4045966

Fc1ccccc1-c1c[nH][c]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
NPC1 O15118 4/20 0.41
MPL P40238 1/20 0.41
MAP4K1 Q92918 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 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
SCHEMBL6002844 0.85 CDK2 (0.38) IDO1CCNE2CCNE1CDK2
SCHEMBL4044625 0.78 ALPL (0.42) NPC1RAB9AMEN1KMT2A
SCHEMBL4044388 0.78 TGFBR1 (0.33) IDO1L3MBTL1CASP3SENP8SENP7
SCHEMBL1316478 0.77 IDO1 (0.47) IDO1NPC1DCUN1D1ALDH1A1RAB9A
SCHEMBL5388053 0.77 IDO1 (0.46) IDO1DCUN1D1CASP3SENP8SENP7
SCHEMBL4045894 0.77 HSD11B1 (0.41) NOTUM
SCHEMBL4719196 0.74 KDM4E (0.41) NPC1NISCHL3MBTL1ALDH1A1MEN1
SCHEMBL63014 0.71 RAB9A (0.41) IDO1NPC1L3MBTL1ALDH1A1RAB9A
SCHEMBL11669563 0.70 BRD4 (0.40) KMT2A
SCHEMBL6003439 0.70 IDO1 (0.49) IDO1NOTUM

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 183/4885NPC1 4195/4885MPL 693/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 263/4885NPC1 4203/4885MPL 604/4885

“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.