SCHEMBL4381875

SCHEMBL4381875

C=CCOC(=O)N(Cc1ccc(C(C(=O)OC)c2cc(OCOC)cc(OCOC)c2)o1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
RAB9A P51151 1/20 0.30
KAT6A Q92794 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL4381872 0.80 LMNA (0.35) LMNAALDH1A1POLBMAPTNPSR1
SCHEMBL4389563 0.74 MAPT (0.37) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4379025 0.68 TDP1 (0.32) L3MBTL1RAB9A
SCHEMBL4382503 0.67 MTNR1A (0.37) ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4387310 0.66 PPARG (0.35) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4386955 0.66 HDAC1 (0.38) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL4383946 0.64 ALDH1A1 (0.33) ALDH1A1POLBMAPTKMT2AKDM4E
SCHEMBL4386272 0.64 MAPT (0.33) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL18120715 0.63 NPSR1 (0.46) LMNAALDH1A1MAPTNPSR1KMT2A
SCHEMBL4392101 0.63

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 LMNA 4706/4885ALDH1A1 3520/4885POLB 3913/4885

“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.