SCHEMBL5573499

SCHEMBL5573499

COc1c(Br)cc(C=NNC(=N)NO)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KDM4E B2RXH2 4/20 0.42
SIRT1 Q96EB6 3/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5573493 1.00 MAPT (0.45) MAPTKMT2AMEN1GAAPARP1
SCHEMBL7743087 0.85 PARP1 (0.48) MAPTKMT2AMEN1GAAPARP1
SCHEMBL7743089 0.85 PARP1 (0.48) MAPTKMT2AMEN1GAAPARP1
SCHEMBL915119 0.84 MAPT (0.40) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL915122 0.84 MAPT (0.40) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL11685341 0.82 KMT2A (0.60) MAPTKMT2AMEN1GAAPARP1
SCHEMBL11685346 0.82 KMT2A (0.60) MAPTKMT2AMEN1GAAPARP1
Hydrochloric Acid SCHEMBL11764537 0.81 KMT2A (0.59) MAPTKMT2AMEN1GAAPARP1
Hydrochloric Acid SCHEMBL11764543 0.81 KMT2A (0.59) MAPTKMT2AMEN1GAAPARP1
SCHEMBL15365563 0.79 KDM4E (0.66) MAPTKMT2AMEN1GAAPARP1

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 MAPT 4502/4885KMT2A 2143/4885MEN1 1668/4885

“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.