SCHEMBL2858330

SCHEMBL2858330

CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SCD O00767 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
PAX8 Q06710 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2856184 0.97 SMN1; SMN2 (0.43) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
Kw-2478 Free Base SCHEMBL2860089 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
Kw-2478 Free Base SCHEMBL29349763 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
Kw-2478 Free Base SCHEMBL29617983 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
Kw-2478 Free Base SCHEMBL2862975 0.96 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
SCHEMBL2860015 0.93 CYP2D6 (0.46) SMN1; SMN2CYP2D6CYP2C9KMT2AMEN1
SCHEMBL18539209 0.93 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
SCHEMBL2871431 0.91 KMT2A (0.47) SMN1; SMN2CYP2D6CYP2C9KMT2AMEN1
SCHEMBL2864939 0.90 SMN1; SMN2 (0.39) SMN1; SMN2CYP2D6CYP2C9SLC5A7KMT2A
SCHEMBL2858292 0.89 MCHR1 (0.45) SMN1; SMN2SLC5A7KMT2AMEN1TLR9

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 4 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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SMN1; SMN2 4682/4885CYP2D6 1825/4885CYP2C9 1162/4885

“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.