SCHEMBL4386978

SCHEMBL4386978

COCOc1cc(OCOC)c(-c2ccccc2)c(CC(=O)N(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
POLB P06746 3/20 0.40
NR4A2 P43354 1/20 0.34
CD274 Q9NZQ7 2/20 0.34
PDCD1 Q15116 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
TSPO P30536 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4382475 0.88 EGFR (0.37) EGFRALDH1A1
SCHEMBL4386350 0.88 KMT2A (0.43) EGFRSMN1; SMN2ALDH1A1MAPK1TSPO
SCHEMBL4390005 0.88 LMNA (0.39) EGFR
SCHEMBL4385950 0.88 EGFR (0.43) EGFRPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL4387376 0.87 EGFR (0.43) EGFRCD274ALDH1A1MEN1KMT2A
SCHEMBL4389125 0.86 EGFR (0.42) EGFRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4381129 0.86 EGFR (0.42) EGFRMEN1KMT2A
SCHEMBL4379975 0.85 EGFR (0.41) EGFRCD274SMN1; SMN2MEN1KMT2A
SCHEMBL4389093 0.83 KDM4E (0.42) EGFRPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4380690 0.83 EGFR (0.40) EGFRPOLBCD274SMN1; SMN2ALDH1A1

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 EGFR 624/4885POLB 3913/4885NR4A2 68/4885

“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.