SCHEMBL8203533

SCHEMBL8203533

CC(C)(C)OC(=O)NCc1ccc2c(c1)-n1cnnc1CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
BRD4 O60885 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.37
AKT1 P31749 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13377645 0.84 BRD4 (0.45) SMN1; SMN2NAMPTCYP1A2CYP2D6BRD4
SCHEMBL13383865 0.79 PIK3CD (0.36) SMN1; SMN2CYP1A2CYP2D6L3MBTL1CYP3A4
SCHEMBL8190800 0.79 CYP1A2 (0.51) SMN1; SMN2NAMPTCYP1A2CYP2D6BRD4
SCHEMBL8251960 0.78 CYP1A2 (0.46) SMN1; SMN2NAMPTCYP1A2CYP2D6L3MBTL1
SCHEMBL10165136 0.77 CYP1A2 (0.53) CYP1A2CYP2D6ALDH1A1HTTCYP3A4
SCHEMBL10165138 0.76 CYP1A2 (0.44) SMN1; SMN2NAMPTCYP1A2CYP2D6BRD4
SCHEMBL14078763 0.75 NAMPT (0.40) SMN1; SMN2NAMPTCYP1A2CYP2D6BRD4
SCHEMBL8199087 0.75 NAMPT (0.41) SMN1; SMN2NAMPTCYP1A2CYP2D6BRD4
SCHEMBL30932891 0.74 SMN1; SMN2 (0.75) SMN1; SMN2RAB9AALDH1A1HTTHSD17B10
SCHEMBL7270138 0.73 KMO (0.56) CYP1A2CYP2D6ALDH1A1HTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691851-B2 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-04-06 US disclosed
US-7691851-B2 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-04-06 US disclosed
WO-2008109177-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109180-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (3 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 SMN1; SMN2 3755/4885NAMPT 379/4885CYP1A2 415/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 SMN1; SMN2 1734/4885NAMPT 603/4885CYP1A2 1246/4885
US-20080221091-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 SMN1; SMN2 3696/4885NAMPT 315/4885CYP1A2 341/4885

“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.