SCHEMBL5573608

SCHEMBL5573608

COc1cc(Br)cc(/C=N/NC(=N)NO)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.54
MAPT P10636 9/20 0.48
LMNA P02545 6/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 4/20 0.47
HTT P42858 4/20 0.47
MEN1 O00255 3/20 0.47
ALOX12 P18054 2/20 0.47
RECQL P46063 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL5573616 1.00 ERN1 (0.54) ERN1MAPTLMNAKDM4EALDH1A1
SCHEMBL7750450 0.86 ERN1 (0.54) ERN1MAPTLMNAKDM4EALDH1A1
SCHEMBL7750457 0.86 ERN1 (0.54) ERN1MAPTLMNAKDM4EALDH1A1
SCHEMBL916650 0.85 ERN1 (0.44) ERN1MAPTLMNAKDM4EALDH1A1
SCHEMBL916651 0.85 ERN1 (0.44) ERN1MAPTLMNAKDM4EALDH1A1
SCHEMBL5571226 0.80 KMT2A (0.59) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL5571220 0.80 KMT2A (0.59) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL5573621 0.80 ERN1 (0.53) ERN1MAPTLMNAKDM4EALDH1A1
SCHEMBL13673521 0.80 KDM4E (0.68) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL13673518 0.80 KDM4E (0.68) MAPTLMNAKDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2007-10-04 US 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-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ERN1 4027/4885MAPT 4502/4885LMNA 4609/4885

“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.