SCHEMBL6340923

SCHEMBL6340923

O=C1NC(=O)c2cc(NCCBr)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
PPOX P50336 1/20 0.48
CASP3 P42574 3/20 0.48
GLA P06280 1/20 0.47
ALOX12 P18054 1/20 0.47
GSK3B P49841 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
PRKD3 O94806 1/20 0.45
EGFR P00533 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
SRC P12931 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45

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
SCHEMBL2659189 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL9623183 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL10661147 0.80 HTT (0.51) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL6341593 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL24237000 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL17145936 0.79 GSK3B (0.45) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL11045211 0.76 CASP3 (0.53) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL6340203 0.76 APP (0.58) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL22032609 0.76 MAPT (0.54) KDM4EALDH1A1HPGDPPOXCASP3
SCHEMBL10282762 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDPPOXCASP3

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-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD KDM4E 3072/4885ALDH1A1 61/4885HPGD 413/4885

“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.