SCHEMBL13554193

SCHEMBL13554193

CCN(C)CCNS(=O)(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SIGMAR1 Q99720 3/20 0.54
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
TMEM97 Q5BJF2 1/20 0.50
KEAP1 Q14145 1/20 0.47

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
SCHEMBL3712996 0.85 SIGMAR1 (0.73) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL3143577 0.84 NPSR1 (0.70) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL3326595 0.84 SIGMAR1 (0.55) ALDH1A1SIGMAR1TSHRNPSR1MAPK1
SCHEMBL12640172 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL18972371 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL16359721 0.79 USP2 (0.69) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL19068937 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL27542635 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL301798 0.78 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL10816772 0.78 CA12 (0.73) ALDH1A1KDM4ELMNAPKMSMN1; SMN2

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-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 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-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ALDH1A1 2304/4885KDM4E 2748/4885LMNA 2347/4885

“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.