SCHEMBL7056792

SCHEMBL7056792

CC(=O)N(c1ccc(C)cc1)c1ccc(NC(=O)/C=C\c2ncsc2-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 6/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6545715 1.00 KMT2A (0.37) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6545781 0.83 MEN1 (0.46) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7054234 0.83 MEN1 (0.46) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7056798 0.82 L3MBTL1 (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL6546039 0.77 MEN1 (0.43) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7053858 0.77 MEN1 (0.43) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7051474 0.75 MEN1 (0.42) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6546525 0.75 MEN1 (0.42) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6545634 0.72 MEN1 (0.46) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7052913 0.72 MAPT (0.46) KMT2AMAPTMEN1MAPK1ALDH1A1

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 1743/4885MAPT 4832/4885MEN1 3863/4885

“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.