SCHEMBL4379399

SCHEMBL4379399

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(Br)c1CC(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G2A P14555 6/20 0.43
HDAC6 Q9UBN7 2/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL4396461 0.88 SLC26A3 (0.43) SMN1; SMN2NPC1RAB9AHDAC6SMPD1
SCHEMBL4386765 0.87 SMPD1 (0.44) ALDH1A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL4384794 0.86 PLA2G2A (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29291239 0.72 GAA (0.54) ALDH1A1MAPTMEN1LMNAGAA
SCHEMBL4380214 0.72 SGMS2 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL4383171 0.72 PTGER1 (0.48) SMN1; SMN2NPC1RAB9ABRD4MAPK14
SCHEMBL4380278 0.71 HPGD (0.42) ALDH1A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL4389290 0.71 MAPK14 (0.39) ALDH1A1MAPTRAB9AMAPK14
SCHEMBL31528182 0.70 SMPD1 (0.50) ALDH1A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL31528255 0.70 BRD4 (0.49) ALDH1A1MAPTSMN1; SMN2HDAC6SMPD1

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 ALDH1A1 3520/4885MAPT 2443/4885SMN1; SMN2 4471/4885

“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.