SCHEMBL2866616

SCHEMBL2866616

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
P2RX7 Q99572 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2863214 0.92 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27655782 0.82 MAPT (0.41) MAPTALDH1A1MEN1KMT2AMMP2
SCHEMBL2859399 0.81 P2RX7 (0.39) ALDH1A1P2RX7LMNA
SCHEMBL2864940 0.81 MAPT (0.48) MAPTALDH1A1KMT2AADAMTS5MAPK1
SCHEMBL15225754 0.80 MAPK1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2856092 0.78 SMN1; SMN2 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2858385 0.78 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2866392 0.76 FKBP1A (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2866451 0.75 DRD3 (0.45) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2859704 0.75 SLC6A7 (0.53) MAPTALDH1A1MEN1KMT2AMMP2

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 1791/4885ALDH1A1 2940/4885P2RX7 1568/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885ALDH1A1 2940/4885P2RX7 1568/4885

“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.