SCHEMBL4047528

SCHEMBL4047528

Oc1ccc(-c2c[nH][c]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTSR1 P30989 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL1119940 0.79 METAP2 (0.42) MAPTALDH1A1POLBHPGDMEN1
SCHEMBL1202001 0.79 NOTUM (0.42) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL4047707 0.79 AKT1 (0.42) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL27584582 0.79 METAP2 (0.42) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL27606211 0.79 METAP2 (0.42) MAPTALDH1A1HPGDHSD17B10MEN1
SCHEMBL63014 0.78 RAB9A (0.41) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL4043271 0.77 HSD17B1 (0.52) ESR1ESR2CDC7HSD17B1HSD17B2
SCHEMBL7179987 0.77 LMNA (0.42) MAPTHSD17B10KMT2ANPC1TP53
SCHEMBL1317405 0.75 NPC1 (0.46) MAPTALDH1A1POLBHPGDMEN1
SCHEMBL27584597 0.75 KIF11 (0.42) MAPTALDH1A1POLBHPGDHSD17B10

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 MAPT 1533/4885ALDH1A1 2656/4885POLB 3903/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MAPT 1475/4885ALDH1A1 2382/4885POLB 3957/4885

“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.