SCHEMBL4050688

SCHEMBL4050688

Oc1ccc(-c2cc3[nH][c]nn3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NTSR1 P30989 1/20 0.35
CA12 O43570 1/20 0.35
ALPL P05186 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 2/20 0.34
MAPK1 P28482 1/20 0.33
RIPK1 Q13546 1/20 0.33
ALK Q9UM73 1/20 0.33
APP P05067 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL4045189 0.85 MEN1 (0.39) MAPTMEN1KMT2ACA12ALPL
SCHEMBL4043421 0.85 PARP1 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL4044795 0.84 HSD17B1 (0.44) ESR1ESR2HSD17B1HSD17B2
SCHEMBL4047056 0.75 PARP1 (0.45) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL4043096 0.72 ALDH1A3 (0.43) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL4047695 0.72 IDO1 (0.46) ALDH1A1POLBHPGDHSD17B10MEN1
SCHEMBL12988852 0.61 ESRRA (0.56) ESRRAMAPTALDH1A1POLBHPGD
SCHEMBL20382094 0.61 ESRRA (0.65) ESRRAMAPTALDH1A1POLBHPGD
SCHEMBL13860592 0.61 ESRRA (0.53) ESRRAMAPTALDH1A1POLBHPGD
SCHEMBL5216095 0.60 PTGS2 (0.60) ESRRAMAPTMEN1KMT2APTGS1

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 ESRRA 1133/4885MAPT 1533/4885ALDH1A1 2656/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ESRRA 834/4885MAPT 1475/4885ALDH1A1 2382/4885

“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.