SCHEMBL7053860

SCHEMBL7053860

O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7054241 0.93 MEN1 (0.47) KMT2AMEN1MAPTALDH1A1ALOX12
SCHEMBL7051477 0.91 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1ALOX12
SCHEMBL7054851 0.90 KDM4E (0.46) KMT2AMEN1MAPTALDH1A1
SCHEMBL6546494 0.84 MEN1 (0.46) KMT2AMEN1MAPTALDH1A1ALOX12
SCHEMBL7048231 0.84 MEN1 (0.46) KMT2AMEN1MAPTALDH1A1ALOX12
SCHEMBL17194784 0.83 TRPM2 (0.51) KMT2AMEN1MAPTALDH1A1HDAC1
SCHEMBL6546015 0.83 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1ALOX12
SCHEMBL7052138 0.83 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1ALOX12
SCHEMBL7052920 0.82 KDM4E (0.46) KMT2AMEN1MAPTALDH1A1
SCHEMBL7053858 0.81 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1ALOX12

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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 KMT2A 1743/4885MEN1 3863/4885MAPT 4832/4885

“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.