SCHEMBL16004603

SCHEMBL16004603

NNC(=O)[C@H]1C[C@@H]1C(=O)NN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
THPO P40225 1/20 0.37
LMNA P02545 1/20 0.35
GABRR1 P24046 1/20 0.35
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 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
SCHEMBL14671494 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12921429 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28436143 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12209163 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL358363 0.88 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL358362 0.88 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9001104 0.80
SCHEMBL21380091 0.80
SCHEMBL9001103 0.80
SCHEMBL2824233 0.80

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-20140249105-A1 NOVEL CERAMIDE ANALOGUES, PROCESSES FOR PREPARING SAME AND USES THEREOF DIVERCHIM (FR) 2014-09-04 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-20140249105-A1 NOVEL CERAMIDE ANALOGUES, PROCESSES FOR PREPARING SAME AND USES THEREOF CERS2, CERT1, SGMS2 ALDH1A1 2924/4885CYP1A2 1183/4885CYP3A4 2627/4885

“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.