SCHEMBL6667136

SCHEMBL6667136

COC(=O)c1cc(-c2ccc(Br)cc2)ns1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TP53 P04637 4/20 0.51
SLC6A3 Q01959 2/20 0.47
PRKCZ Q05513 1/20 0.43
THRB P10828 1/20 0.42
RAB9A P51151 3/20 0.42
MCL1 Q07820 2/20 0.40
ALAD P13716 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CSNK2A2 P19784 1/20 0.38
KDR P35968 1/20 0.38
CSNK2B P67870 1/20 0.38

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
SCHEMBL11001807 0.85 MAPT (0.54) MAPTTP53SLC6A3RAB9ANPC1
SCHEMBL11005342 0.85 MAPT (0.54) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL15559606 0.84 GAA (0.51) MAPTALDH1A1SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL6668534 0.84 ALAD (0.51) MCL1ALADRXFP1
SCHEMBL11004921 0.75 MAPT (0.56) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL11000948 0.75 SLC6A3 (0.48) MAPTTP53SLC6A3RAB9ANPC1
SCHEMBL190360 0.75 NR4A2 (0.51) RAB9AMCL1NPC1ALDH1A1SMN1; SMN2
SCHEMBL28316585 0.75 KDM4E (0.40) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL26613952 0.74 ATR (0.42) MAPTALDH1A1
SCHEMBL11000258 0.74 ALPL (0.52) MAPTRAB9AMCL1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 US disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 WO 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 MAPT 1595/4885TP53 676/4885SLC6A3 893/4885

“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.