SCHEMBL915958

SCHEMBL915958

COc1cc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c(Br)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.38
PTPN1 P18031 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7066419 0.89 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7066486 0.85 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7064644 0.85 MAPT (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7064490 0.83 ERN1 (0.43) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL915955 0.83 MAPT (0.40) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL915956 0.83 MAPT (0.40) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7060993 0.82 MAPT (0.42) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7062299 0.80 GFER (0.48) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7060004 0.80 GFER (0.42) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7064608 0.79 MAPT (0.44) ALDH1A1MAPTLMNAHTTMEN1

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-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2011-01-20 US disclosed
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO 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-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 ALDH1A1 1879/4885MAPT 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.