SCHEMBL4049207

SCHEMBL4049207

Brc1cccc(-c2n[c]c[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
DCUN1D1 Q96GG9 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MPI P34949 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 2/20 0.45
METAP2 P50579 1/20 0.45
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2091213 0.79 IDO1 (0.45) ALDH1A1HPGDIDO1METAP2RAB9A
SCHEMBL4041568 0.79 HSD17B1 (0.47) ALDH1A1GAAHSD17B10METAP2MAPT
SCHEMBL2651262 0.79 IDO1 (0.45) GAAALOX15ALOX12IDO1MEN1
SCHEMBL2650383 0.79 IDO1 (0.49) ALDH1A1GAAMPIIDO1HRH1
SCHEMBL4047558 0.77 DGAT1 (0.37) ALDH1A1METAP2RAB9ANPC1MEN1
SCHEMBL403894 0.77 MTOR (0.43) ALDH1A1DCUN1D1GAAALOX15IDO1
SCHEMBL2651687 0.75 IDO1 (0.49) IDO1TYMP
SCHEMBL4015570 0.75 SCN2A (0.55) ALDH1A1HPGDHSD17B10IDO1HRH1
SCHEMBL2653005 0.75 DCUN1D1 (0.49) ALDH1A1DCUN1D1GAAMAPTSMN1; SMN2
SCHEMBL2095585 0.75 KIF11 (0.47) IDO1IKBKB

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 ALDH1A1 2656/4885HPGD 669/4885DCUN1D1 4505/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ALDH1A1 2382/4885HPGD 691/4885DCUN1D1 4471/4885

“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.