SCHEMBL5818752

SCHEMBL5818752

CCC(=O)N(C)c1cccc(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2894413 0.82 HTT (0.46) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL24011585 0.79 HSD17B1 (0.53) ALDH1A1TSHRUSP2TP53HPGD
SCHEMBL31425823 0.79 HSD17B1 (0.53) ALDH1A1TSHRUSP2TP53HPGD
SCHEMBL7367460 0.79 MAPT (0.57) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL7367457 0.79 MAPT (0.57) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL334924 0.78 KDM4E (0.56) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL1937633 0.78 SIGMAR1 (0.43) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL11739758 0.77 MAPT (0.63) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL6689403 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL9887 0.76 KMT2A (0.56) KMT2AALDH1A1MEN1TSHRTP53

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
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS KMT2A 2890/4885ALDH1A1 847/4885MEN1 2653/4885

“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.