SCHEMBL2859704

SCHEMBL2859704

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PSMD14 O00487 1/20 0.49
MMP2 P08253 1/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 3/20 0.47
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
POLB P06746 2/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL15225754 0.87 MAPK1 (0.50) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL2864940 0.86 MAPT (0.48) KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2856092 0.85 SMN1; SMN2 (0.47) KMT2AMEN1NPSR1L3MBTL1ALDH1A1
SCHEMBL2858385 0.85 MAPT (0.55) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL2866392 0.82 FKBP1A (0.50) KMT2AMEN1HPGDHSD17B10ALDH1A1
SCHEMBL2859146 0.82 MAPT (0.47) KMT2AMEN1HPGDHSD17B10NPSR1
SCHEMBL2866451 0.82 DRD3 (0.45) KMT2AMEN1NPSR1ALDH1A1TLR8
SCHEMBL2862037 0.80 SMN1; SMN2 (0.41) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL2868820 0.79 SMN1; SMN2 (0.47) KMT2AMEN1HPGDHSD17B10L3MBTL1
SCHEMBL2854657 0.79 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP claimed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P SLC6A7 288/4885KMT2A 3681/4885MEN1 4773/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SLC6A7 288/4885KMT2A 3681/4885MEN1 4773/4885

“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.