SCHEMBL4392528

SCHEMBL4392528

COCOc1cc(OCOC)cc(C(C(=O)OC)c2cccc(C=NOC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.40
SRC P12931 1/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BACE1 P56817 3/20 0.31
FFAR1 O14842 1/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL4378824 0.90 NPC1 (0.35) HIF1ARAB9ASMN1; SMN2GRM5ALDH1A1
SCHEMBL4384811 0.86 NPC1 (0.36) SRCRAB9ASMN1; SMN2GRM5ALDH1A1
SCHEMBL4389678 0.81 NR1H4 (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL4390347 0.78 KMT2A (0.43) RAB9ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL4389620 0.78 FYN (0.40) SMN1; SMN2GRM5MEN1KMT2AFFAR1
SCHEMBL4396532 0.78 MIF (0.32) HTTMEN1KMT2A
SCHEMBL4386768 0.76 FFAR1 (0.41) FFAR1
SCHEMBL4386274 0.75 RAB9A (0.39) RAB9ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4378281 0.72 MAPT (0.39) RAB9ALMNAALDH1A1MEN1KMT2A
SCHEMBL4382164 0.71 MEN1 (0.34) LMNAALDH1A1MEN1KMT2AFFAR1

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 HIF1A 2516/4885SRC 179/4885RAB9A 585/4885

“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.