SCHEMBL2863159

SCHEMBL2863159

COCCNCCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
PAOX Q6QHF9 1/20 0.46
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
DPP7 Q9UHL4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TERT O14746 1/20 0.33
RECQL P46063 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33

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) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL2862707 0.86 CYP2C9 (0.52) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL15859 0.83 TDP1 (0.75) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL2859138 0.82 CYP2C19 (0.54) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL8327575 0.80 KDM4E (0.46) CYP2C19KDM4EALDH1A1MEN1KMT2A
SCHEMBL26967080 0.80 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19KDM4E
Ammonia Solution, Strong SCHEMBL7104676 0.80 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL5129514 0.80 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL5131831 0.80 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL19677015 0.79 TDP1 (0.52) TDP1PAOXCYP2C9CYP2C19KDM4E

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 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
US-4599371-A CATIONIC POLYMERS FOR ELECTROCOATINGS BASF AKTIENGESELLSCHAFT (DE) 1986-07-08 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 (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 TDP1 2886/4885PAOX 2878/4885CYP2C9 1162/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TDP1 2886/4885PAOX 2878/4885CYP2C9 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.