SCHEMBL4396312

SCHEMBL4396312

CCCNC(=O)Cc1c(Br)c(O)cc(O)c1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
PTPN7 P35236 2/20 0.43
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL4394076 0.82 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4394879 0.81 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2LMNATP53
SCHEMBL4387465 0.80 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAGAA
SCHEMBL4382100 0.78 LMNA (0.41) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4378161 0.77 POLB (0.49) ALDH1A1HPGDSMN1; SMN2LMNAGAA
SCHEMBL4393970 0.75 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4382842 0.72 MEN1 (0.35) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10242926 0.71 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10242915 0.71 PRMT6 (0.53) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10242886 0.70 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 3520/4885HPGD 3238/4885SMN1; 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.