SCHEMBL2866451

SCHEMBL2866451

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 6/20 0.43
MAPT P10636 2/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.40
KCNA5 P22460 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
SCHEMBL2858385 0.90 MAPT (0.55) DRD3HRH2HRH1SIGMAR1SMN1; SMN2
SCHEMBL2856092 0.88 SMN1; SMN2 (0.47) DRD3HRH2HRH1SIGMAR1SMN1; SMN2
SCHEMBL2866392 0.85 FKBP1A (0.50) SMN1; SMN2MAPTALDH1A1KMT2AHTT
SCHEMBL2862037 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1KMT2ATP53
SCHEMBL15225754 0.83 MAPK1 (0.50) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL2864940 0.83 MAPT (0.48) MAPTALDH1A1KMT2ALMNA
SCHEMBL2859704 0.82 SLC6A7 (0.53) MAPTTLR9TLR8TLR7ALDH1A1
SCHEMBL2868820 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTLR8TLR7ALDH1A1
SCHEMBL2866216 0.81 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL2866292 0.80 GRM3 (0.42) SMN1; SMN2ALDH1A1LMNAPOLB

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 DRD3 4397/4885HRH2 1396/4885HRH1 1587/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P DRD3 4397/4885HRH2 1396/4885HRH1 1587/4885

“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.