SCHEMBL6071233

SCHEMBL6071233

CN(C)/C=C/C(=O)c1cccc(N(C)C(=O)C2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
ALDH1A1 P00352 9/20 0.55
HTT P42858 4/20 0.55
GAA P10253 3/20 0.55
HPGD P15428 3/20 0.55
RECQL P46063 2/20 0.51
RAB9A P51151 5/20 0.50
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL5821878 1.00 MAPT (0.55) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5816920 0.95 MAPT (0.52) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5946489 0.95 MAPT (0.52) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5797310 0.85 MAPT (0.53) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5946459 0.85 MAPT (0.53) MAPTALDH1A1HTTGAAHPGD
SCHEMBL5818006 0.82 MAPT (0.50) MAPTALDH1A1HTTGAAHPGD
SCHEMBL524803 0.82 MAPT (0.61) MAPTALDH1A1HTTGAAHPGD
SCHEMBL524804 0.82 MAPT (0.61) MAPTALDH1A1HTTGAAHPGD
SCHEMBL9533849 0.82 RECQL (0.63) MAPTALDH1A1HTTGAAHPGD
SCHEMBL7367460 0.81 MAPT (0.57) MAPTALDH1A1HTTGAAHPGD

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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-4654347-A USEFUL AS ANXIOLYTIC AND ANTIEPILEPTIC AGENTS, SEDATIVE-HYPNOTIC AGENTS AND SKELETAL MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 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 MAPT 4164/4885ALDH1A1 847/4885HTT 2314/4885

“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.