SCHEMBL2866446

SCHEMBL2866446

CCN(CC)CCNCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
PAOX Q6QHF9 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRB2 P07550 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
SCHEMBL13451320 0.87 PAOX (0.49) MEN1KMT2ACYP2C19KDM4ERECQL
SCHEMBL229973 0.83 PAOX (0.43) MEN1KMT2ACYP2C19GAACYP2C9
SCHEMBL7366275 0.81 MEN1 (0.35) MEN1KMT2ACYP2C19GAACYP2C9
SCHEMBL22479351 0.80 CHRM2 (0.37) MEN1KMT2ACYP2C19GAACYP2C9
SCHEMBL24603130 0.80 KDM4E (0.36) CYP2C19CYP2C9KDM4ERECQLALDH1A1
SCHEMBL7361074 0.78 MEN1 (0.33) MEN1KMT2ACYP2C19GAACYP2C9
SCHEMBL11119 0.77
SCHEMBL2862707 0.76 CYP2C9 (0.52) MEN1KMT2ACYP2C19CYP2C9KDM4E
SCHEMBL7392001 0.76 PIK3CD (0.30) MEN1KMT2ACYP2C19GAACYP2C9
SCHEMBL11323396 0.75 PAOX (0.48) MEN1KMT2ACYP2C19GAACYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
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
EP-1654257-B1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-03-17 EP 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 (3 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 MEN1 4773/4885KMT2A 3681/4885CYP2C19 1259/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MEN1 4773/4885KMT2A 3681/4885CYP2C19 1259/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 MEN1 1302/4885KMT2A 3170/4885CYP2C19 508/4885

“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.