SCHEMBL21217570

SCHEMBL21217570

CNCCCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.36
▸ GAA P10253 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL21218064 0.87 RAB9A (0.44) MAPK1RXFP1TP53MEN1KMT2A
SCHEMBL21218027 0.87 ALDH1A1 (0.40) MAPK1RXFP1MEN1GFERKMT2A
SCHEMBL20161778 0.81 NAMPT (0.35) MAPK1RXFP1TP53ALDH1A1LMNA
SCHEMBL22085071 0.79 SMN1; SMN2 (0.46) MAPK1RXFP1MEN1KMT2AALDH1A1
SCHEMBL19590941 0.78 KMT2A (0.39) MAPK1GAAMEN1KMT2AALDH1A1
SCHEMBL20079712 0.78 TDP1 (0.47) GAATP53MEN1KMT2AALDH1A1
SCHEMBL19590969 0.77 LMNA (0.37) MAPK1RXFP1TP53MEN1GFER
SCHEMBL19590948 0.77 MTNR1A (0.46) ALDH1A1POLB
SCHEMBL19590910 0.75 ALDH1A1 (0.45) MAPK1RXFP1MEN1KMT2AALDH1A1
SCHEMBL19472287 0.74 AMPD2 (0.38) MEN1KMT2AALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-01 — — 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-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C MAPK1 3061/4885GAA 687/4885RXFP1 1348/4885

“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.

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