SCHEMBL4046435

SCHEMBL4046435

Clc1cccc(-c2n[c]n[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.53
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MPI P34949 1/20 0.47
GFER P55789 1/20 0.47
NOTUM Q6P988 2/20 0.46
HRH1 P35367 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SCN2A Q99250 1/20 0.41
IKBKE Q14164 1/20 0.41
JAK2 O60674 1/20 0.41
PIN1 Q13526 1/20 0.40
TYMP P19971 1/20 0.40

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
SCHEMBL4050892 0.79 DCUN1D1 (0.49) IDO1GAAKDM4EALDH1A1MPI
SCHEMBL4044116 0.79 MGAM (0.42) IDO1GAANOTUMMGAMSI
SCHEMBL4048612 0.79 HSD17B1 (0.46) GAAALDH1A1MGAMSIMGAM2
SCHEMBL11467256 0.77 ALPL (0.44) KDM4EALDH1A1NOTUMSCN2A
SCHEMBL4050203 0.75 SCN2A (0.51) IDO1KDM4EALDH1A1NOTUMHRH1
SCHEMBL4041229 0.75 DCUN1D1 (0.52) GAANOTUMPIN1
SCHEMBL4051736 0.73 NR1H2 (0.39) KDM4EALDH1A1SCN2A
SCHEMBL4051331 0.71 NOTUM (0.41) KDM4EALDH1A1GFERNOTUM
SCHEMBL2650383 0.71 IDO1 (0.49) IDO1GAAKDM4EALDH1A1MPI
SCHEMBL1435930 0.70 GAA (0.51) IDO1GAAKDM4EALDH1A1MPI

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 183/4885GAA 1411/4885KDM4E 2034/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 263/4885GAA 1654/4885KDM4E 2049/4885

“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.