SCHEMBL2858385

SCHEMBL2858385

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
DRD3 P35462 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
APP P05067 1/20 0.40
PTGS2 P35354 1/20 0.40
GFER P55789 2/20 0.40
TP53 P04637 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2856092 0.92 SMN1; SMN2 (0.47) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL2866451 0.90 DRD3 (0.45) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL2866392 0.88 FKBP1A (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15225754 0.87 MAPK1 (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2864940 0.86 MAPT (0.48) MAPTKMT2AALDH1A1GFER
SCHEMBL2862037 0.86 SMN1; SMN2 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2859704 0.85 SLC6A7 (0.53) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL2868820 0.85 SMN1; SMN2 (0.47) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2866216 0.84 SMN1; SMN2 (0.40) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2866292 0.84 GRM3 (0.42) SMN1; SMN2ALDH1A1POLBGAAKDM4E

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 MAPT 1791/4885SMN1; SMN2 4682/4885NPSR1 1364/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885SMN1; SMN2 4682/4885NPSR1 1364/4885

“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.