SCHEMBL4382263

SCHEMBL4382263

CN(C)CCNC(=O)Cc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.41
LGALS1 P09382 1/20 0.39
CHEK1 O14757 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
WEE1 P30291 1/20 0.38
THRB P10828 1/20 0.37
HDAC1 Q13547 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4394879 0.86 HPGD (0.44) KDM4ELMNAALDH1A1CA1CA2
SCHEMBL4390425 0.85 MTNR1A (0.41) LMNAMTNR1AMTNR1B
SCHEMBL4386604 0.83 HPGD (0.49) KDM4ELMNAALOX15CYP1A2CYP2C19
SCHEMBL4389225 0.81 HPGD (0.43) MAPTKDM4EALDH1A1
SCHEMBL4388905 0.81 HPGD (0.37) MAPTKDM4ELMNACYP2C19HDAC1
SCHEMBL4387272 0.80 ALDH1A1 (0.54) MAPTKDM4ELMNAHDAC1ALDH1A1
SCHEMBL4384668 0.80 NR4A2 (0.39) MAPTKDM4ELMNACYP1A2CYP2D6
SCHEMBL4392259 0.79 HTR2A (0.41) HTR2C
SCHEMBL4381538 0.78 CNR2 (0.38) MAPTKDM4ELMNACYP2D6CYP2C19
SCHEMBL4380223 0.78 SMN1; SMN2 (0.42) MAPTKDM4ELMNATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MAPT 2443/4885KDM4E 3223/4885LMNA 4706/4885

“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.