SCHEMBL10344772

SCHEMBL10344772

CC(=O)C(C)CCNc1ncnc2nc[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
CYP3A4 P08684 2/20 0.60
LMNA P02545 3/20 0.56
CYP1A2 P05177 3/20 0.55
CDK2 P24941 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
TSHR P16473 4/20 0.54
HSD17B10 Q99714 3/20 0.54
TP53 P04637 1/20 0.54
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.52
BRAF P15056 1/20 0.52
MAPK1 P28482 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRMT1 Q99873 2/20 0.48

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
SCHEMBL150047 0.84 HTT (0.70) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL29612168 0.84 HTT (0.70) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL29524840 0.82 CYP3A4 (0.68) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL30320038 0.79 CYP3A4 (0.60) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL10345057 0.79 HDAC1 (0.67) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL5628458 0.79 HTT (0.63) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL101602 0.79 HTT (0.67) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL29359033 0.79 HTT (0.67) HTTCYP3A4LMNACYP1A2CDK2
Hydrochloric Acid SCHEMBL30150738 0.77 HTT (0.65) HTTCYP3A4LMNACYP1A2CDK2
SCHEMBL7668701 0.76 CYP3A4 (1.00) HTTCYP3A4LMNACYP1A2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383331-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE BOOSHOOT LLC (US) 2020-12-10 US disclosed
WO-2013016198-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR MICROPROPAGATION OF PLANTS BOOSHOOT LLC (US) 2013-01-31 WO disclosed
US-20120180964-A1 COMPOSITIONS AND METHODS FOR BAMBOO PULPING The Red Triangle, LLC (US) 2012-07-19 US disclosed
WO-2012097380-A1 COMPOSITIONS AND METHODS FOR BAMBOO PULPING The Red Triangle, LLC (US) 2012-07-19 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-20200383331-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE MYB, MYCBP, PIM1 HTT 424/4885CYP3A4 484/4885LMNA 2928/4885

“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.