SCHEMBL4385121

SCHEMBL4385121

COCOc1cc(OCOC)c(-c2ccccc2)c(CC(=O)NCc2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 2/20 0.44
CAPN1 P07384 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 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
SCHEMBL4381581 0.93 MAPT (0.48) EGFRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4390266 0.90 LMNA (0.53) L3MBTL1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4380690 0.89 EGFR (0.40) EGFRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4377954 0.87 SMN1; SMN2 (0.44) EGFRL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL4396326 0.87 KDM4E (0.48) EGFRL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL4379975 0.86 EGFR (0.41) EGFRMEN1KMT2ACAPN1SMN1; SMN2
SCHEMBL4381625 0.86 CD274 (0.43) EGFRL3MBTL1KMT2ACAPN1POLB
SCHEMBL4394925 0.86 HPGD (0.40) EGFRALDH1A1CAPN1SMN1; SMN2HPGD
SCHEMBL4389125 0.85 EGFR (0.42) EGFRALDH1A1MEN1KMT2ANPC1
SCHEMBL4385950 0.85 EGFR (0.43) EGFRALDH1A1LMNAMEN1KMT2A

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 624/4885L3MBTL1 3218/4885ALDH1A1 3520/4885

“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.