SCHEMBL2866538

SCHEMBL2866538

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N(CCOC)CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CNR2 P34972 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.40
BCL3 P20749 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
SCHEMBL2856174 0.94 KDM4E (0.42) KMT2AALDH1A1TSHRGAA
SCHEMBL2861701 0.92 KMT2A (0.44) KMT2ACNR1ALDH1A1CNR2TDP1
SCHEMBL2860212 0.92 SMN1; SMN2 (0.39) KMT2ACNR1ALDH1A1GAA
SCHEMBL2871431 0.90 KMT2A (0.47) KMT2AALDH1A1TSHRCYP2C9MEN1
Kw-2478 Free Base SCHEMBL29617983 0.85 SMN1; SMN2 (0.45) KMT2AALDH1A1TDP1TSHRCYP2C9
Kw-2478 Free Base SCHEMBL2860089 0.85 SMN1; SMN2 (0.45) KMT2AALDH1A1TDP1TSHRCYP2C9
Kw-2478 Free Base SCHEMBL29349763 0.85 SMN1; SMN2 (0.45) KMT2AALDH1A1TDP1TSHRCYP2C9
Kw-2478 Free Base SCHEMBL2862975 0.85 SMN1; SMN2 (0.45) KMT2AALDH1A1TDP1TSHRCYP2C9
SCHEMBL2860015 0.85 CYP2D6 (0.46) KMT2AALDH1A1TDP1TSHRCYP2C9
SCHEMBL2858220 0.84 TLR9 (0.36) CNR2CYP3A4CYP2C19CYP2D6GAA

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 9 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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 KMT2A 3681/4885CNR1 1349/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KMT2A 3681/4885CNR1 1349/4885ALDH1A1 2940/4885

“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.