SCHEMBL2859138

SCHEMBL2859138

COCCCNCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
GAA P10253 2/20 0.38
PAOX Q6QHF9 1/20 0.37
TSHR P16473 1/20 0.36
ANPEP P15144 1/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 3/20 0.35

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
SCHEMBL12296397 0.91 TDP1 (0.56) CYP2C19CYP2C9TDP1ALDH1A1KDM4E
SCHEMBL2862707 0.86 CYP2C9 (0.52) CYP2C19CYP2C9TDP1ALDH1A1KDM4E
SCHEMBL4159314 0.83 MAPK1 (0.48) CYP2C19ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL2863159 0.82 TDP1 (0.56) CYP2C19CYP2C9TDP1ALDH1A1KDM4E
SCHEMBL8741137 0.80 CYP2C19 (0.70) CYP2C19CYP2C9TDP1ALDH1A1KDM4E
SCHEMBL6223853 0.78 ALDH1A1 (0.46) CYP2C19ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL6141860 0.78 TDP1 (0.68) CYP2C19CYP2C9TDP1ALDH1A1KDM4E
SCHEMBL344526 0.77 CYP2C9 (0.72) CYP2C19CYP2C9TDP1ALDH1A1PRMT3
SCHEMBL13450925 0.77 KDM4E (0.39) CYP2C19ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3404460 0.75 PRMT3 (0.48) CYP2C19CYP2C9TDP1ALDH1A1KDM4E

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 6 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
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 CYP2C19 1259/4885CYP2C9 1162/4885TDP1 2886/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CYP2C19 1259/4885CYP2C9 1162/4885TDP1 2886/4885

“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.