SCHEMBL6099338

SCHEMBL6099338

COC(=O)c1ccc(-c2ccc(NC(C)=O)cc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
MAPT P10636 3/20 0.54
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
EGFR P00533 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
LMNA P02545 1/20 0.48
MAPK14 Q16539 1/20 0.47
HDAC1 Q13547 1/20 0.47
PTPN1 P18031 1/20 0.47
HSD17B1 P14061 1/20 0.47
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK1 P06493 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7756117 0.88 CYP2C9 (0.54) MAPTCYP2C9TSHRSMN1; SMN2ALDH1A1
SCHEMBL4436251 0.85 CYP1A2 (0.52) MAPTSMN1; SMN2ALDH1A1KMT2AMAPK14
SCHEMBL7187475 0.83 TDP1 (0.61) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL28255681 0.83 SLC2A1 (0.63) SLC2A1MAPTCYP2C9TSHREGFR
SCHEMBL4168384 0.81 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7192635 0.81 SLC1A3 (0.61) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6099629 0.81 POLB (0.56) SLC2A1EGFRSMN1; SMN2LMNAHTT
SCHEMBL22219121 0.81 SMN1; SMN2 (0.47) MAPTCYP2C9SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7188387 0.80 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL26571944 0.80 TDP1 (0.61) SLC2A1MAPTTSHREGFRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109201-B2 Piperazine derivatives, their preparation and uses in therapy SMITHKLINE BEECHAM PLC (GB) 2006-09-19 US disclosed
EP-1368337-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2005-06-15 EP disclosed
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-22 US disclosed
EP-1368337-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2002074764-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM P.L.C. (GB) 2002-09-26 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-20040142925-A1 Piperazine derivatives their preparation and uses in therapy NR3C2, NR2C2, NR3C1 SLC2A1 1882/4885MAPT 3454/4885CYP2C9 1240/4885

“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.