SCHEMBL12216376

SCHEMBL12216376

CC(C)N(CC(=O)Cc1nc(CCl)no1)C(=O)COc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 11/20 0.55
▸ MAPT P10636 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TP53 P04637 3/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ PSMB8 P28062 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL1568464 0.73 PSMB5 (0.60) PSMB5SMN1; SMN2ALDH1A1TRPM8
SCHEMBL1569224 0.71 PSMB5 (0.60) PSMB5SMN1; SMN2ALDH1A1
SCHEMBL15504793 0.65 PSMB5 (1.00) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL15504799 0.65 PSMB5 (0.82) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL12612762 0.64 TSHR (0.77) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL15504805 0.64 PSMB5 (0.90) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL12612093 0.64 PSMB5 (0.90) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL15504798 0.63 PSMB5 (0.90) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL15504823 0.63 PSMB5 (0.88) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL15504801 0.63 TSHR (0.86) PSMB5MAPTTSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257176-A1 NITROGEN HETEROCYCLE DERIVATIVES AS PROTEASOME MODULATORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-10-20 — — US disclosed
US-20110257176-A1 NITROGEN HETEROCYCLE DERIVATIVES AS PROTEASOME MODULATORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-10-20 — — 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-20110257176-A1 NITROGEN HETEROCYCLE DERIVATIVES AS PROTEASOME MODULATORS PSMB1, PSME1, PSMB2 PSMB5 6/4885MAPT 1131/4885TSHR 3837/4885

“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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