SCHEMBL7831336

SCHEMBL7831336

COC(=O)C(=Cc1ccc(N)c(Br)c1Br)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL7080565 0.78 MAPT (0.35) RECQLMAPTALDH1A1HPGDGAA
SCHEMBL7080563 0.78 MAPT (0.35) RECQLMAPTALDH1A1HPGDGAA
SCHEMBL30655454 0.71 MAPT (0.37) RECQLMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3965977 0.71 MAPT (0.47) RECQLMAPTKDM4EALDH1A1HPGD
SCHEMBL3965975 0.71 MAPT (0.47) RECQLMAPTKDM4EALDH1A1HPGD
SCHEMBL3966403 0.71 MAPT (0.47) RECQLMAPTKDM4EALDH1A1HPGD
SCHEMBL17318680 0.71 RECQL (0.45) RECQLMAPTALDH1A1TSHRGAA
SCHEMBL17318679 0.71 RECQL (0.45) RECQLMAPTALDH1A1TSHRGAA
SCHEMBL17318678 0.71 RECQL (0.45) RECQLMAPTALDH1A1TSHRGAA
SCHEMBL6523258 0.70 PRKDC (0.49) MAPTKDM4EALDH1A1SMN1; SMN2HPGD

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-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 RECQL 3008/4885MAPT 164/4885KDM4E 2891/4885

“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.