SCHEMBL7054851

SCHEMBL7054851

Cc1ccc(CC(=O)Nc2ccc(NC(=O)C=Cc3ccc(-c4ccc(Br)cc4)o3)cc2C(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 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
SCHEMBL7052920 0.92 KDM4E (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7054241 0.90 MEN1 (0.47) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7053860 0.90 KMT2A (0.47) MEN1ALDH1A1MAPTKMT2A
SCHEMBL18655903 0.82 LTB4R (0.51)
SCHEMBL7051477 0.80 KMT2A (0.45) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL6545634 0.80 MEN1 (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7054846 0.80 MEN1 (0.46) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7051490 0.75 ABCB1 (0.44)
SCHEMBL7051491 0.75 ABCB1 (0.44)
SCHEMBL7048203 0.75 MEN1 (0.47) MEN1ALDH1A1LMNAMAPTKMT2A

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 KDM4E 1829/4885MEN1 3863/4885ALDH1A1 1419/4885

“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.