SCHEMBL10244855

SCHEMBL10244855

CC(C)(C)n1nnnc1N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL13225895 0.71 KMT2A (0.48) ALDH1A1LMNANPSR1
SCHEMBL4413253 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL2910271 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4412005 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4631171 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4408869 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4405820 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL9661487 0.68 ALDH1A1 (0.40) ALDH1A1NPSR1
SCHEMBL15183811 0.67 ALDH1A1 (0.46) ALDH1A1CYP1A2LMNANPSR1
SCHEMBL21721550 0.67 ALDH1A1 (0.37) ALDH1A1LMNANPSR1

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-11174246-B2 Direct AMPK activators RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 US disclosed
WO-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 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 (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-11174246-B2 Direct AMPK activators PRKAA1, PRKAG1, PRKAB1 ALDH1A1 490/4885CYP1A2 1665/4885LMNA 2265/4885
US-20180051006-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 ALDH1A1 490/4885CYP1A2 1665/4885LMNA 2265/4885

“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.