SCHEMBL9976426

SCHEMBL9976426

CC(C)C(=O)OCc1ccc2oncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
SYK P43405 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
EDNRA P25101 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA7 P36544 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL9979773 0.86 CYP3A4 (0.49) LMNATP53CYP3A4SYKALDH1A1
SCHEMBL3290937 0.83 ALDH1A1 (0.44) LMNATP53CYP3A4SYKALDH1A1
SCHEMBL115421 0.83 LMNA (0.40) LMNATP53CYP3A4SYKKDM4E
SCHEMBL20079989 0.77 LMNA (0.49) LMNATP53SYKKDM4ETRPM5
SCHEMBL13500589 0.74 NPC1 (0.49) LMNATP53SYKALDH1A1KDM4E
SCHEMBL10160045 0.74 HTR1B (0.40) TRPM5
SCHEMBL13500632 0.73 GAA (0.50) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14011321 0.73 TACR1 (0.52) ALDH1A1KDM4ERAB9A
SCHEMBL15762727 0.73 ALDH1A1 (0.48) LMNAROCK2CYP3A4ALOX15ALDH1A1
SCHEMBL27304325 0.72 TRPM5 (0.38) TRPM5CHRNA7CA2CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779191-B2 Methods and compositions for preparing lisdexamfetamine and salts thereof CAMBREX CHARLES CITY, INC. (US) 2014-07-15 US disclosed
US-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 US disclosed
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof AVISTA PHARMA SOLUTIONS, INC. 2012-06-21 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 (2 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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF PNMT, COMT, DDT LMNA 2216/4885TP53 2963/4885ROCK2 2174/4885
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof SLC6A3, COMT, LPXN LMNA 2265/4885TP53 4424/4885ROCK2 1404/4885

“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.