SCHEMBL4380841

SCHEMBL4380841

O=C(NCc1ccccc1)c1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
HSP90AA1 P07900 1/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 3/20 0.47
KMT2A Q03164 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
PKM P14618 1/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
MDM2 Q00987 2/20 0.46
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL4390351 0.80 GSK3B (0.40) HPGDHDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL4387272 0.80 ALDH1A1 (0.54) EGFRHPGDKMT2AHDAC2HDAC8
SCHEMBL4387282 0.78 PRNP (0.42)
SCHEMBL6567318 0.77 HDAC6 (0.61) EGFRHPGDKMT2AHDAC2HDAC8
SCHEMBL4389613 0.75 CNR2 (0.48) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4392519 0.75 RAB9A (0.39) TSHRHPGDKMT2AALDH1A1
SCHEMBL4389590 0.74 LMNA (0.50) EGFRTSHRHPGDKMT2ASMN1; SMN2
SCHEMBL4381542 0.74 SMN1; SMN2 (0.44) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4392011 0.73 EGFR (0.55) EGFRTSHRHPGDKMT2APKM
SCHEMBL5620857 0.73 PPIA (0.76) HSP90AA1TSHRHPGDKMT2AHDAC2

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 624/4885HSP90AA1 5/4885TSHR 487/4885

“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.