SCHEMBL18276239

SCHEMBL18276239

NC(=O)CC(C(N)=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8940204 0.88 ALOX15 (0.39) LMNAALDH1A1TDP1ALOX15BLM
SCHEMBL28826882 0.83 LMNA (0.35) LMNAALDH1A1TDP1ALOX15BLM
SCHEMBL3978188 0.79
SCHEMBL27538444 0.78 SLC22A6 (0.45) LMNATDP1CYP2C19GABRR1OR51E2
SCHEMBL19579926 0.75 TDP1 (0.40) TDP1
SCHEMBL15282900 0.75 LMNA (0.39) LMNAALDH1A1TDP1ALOX15BLM
SCHEMBL2680479 0.73 ECE1 (0.38) LMNAALDH1A1TDP1ALOX15BLM
SCHEMBL293079 0.73 CA1 (0.39) LMNAALDH1A1TDP1ALOX15BLM
SCHEMBL10519890 0.73
SCHEMBL7397717 0.73

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
WO-2016200840-A1 MONO AND BICYCLIC RING BORONIC ACID, ESTER AND SALT COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-12-15 WO claimed
US-20160355503-A1 NITROGEN HEXACYCLE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES, INC. 2016-12-08 US claimed
WO-2016200840-A1 MONO AND BICYCLIC RING BORONIC ACID, ESTER AND SALT COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-12-15 WO disclosed
US-20160355503-A1 NITROGEN HEXACYCLE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES, INC. 2016-12-08 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-20160355503-A1 NITROGEN HEXACYCLE COMPOUNDS AS INHIBITORS OF p97 COMPLEX PSMG3, PSME1, PSME2 LMNA 1324/4885ALDH1A1 3386/4885TDP1 1005/4885

“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.