SCHEMBL14072014

SCHEMBL14072014

CCOC(=O)C(=O)Nc1cc(-c2ccccc2)no1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
RORC P51449 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 4/20 0.54
THRB P10828 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
SCHEMBL222050 0.84 MAPT (0.60) MAPTSMN1; SMN2RORCNPC1RAB9A
SCHEMBL3772532 0.80 RORC (0.66) MAPTSMN1; SMN2RORCNPC1RAB9A
SCHEMBL21174073 0.79 NPC1 (0.61) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10802219 0.78 RORC (0.63) MAPTSMN1; SMN2RORCNPC1RAB9A
SCHEMBL223464 0.75 MAPT (0.62) MAPTSMN1; SMN2RORCNPC1RAB9A
SCHEMBL20578739 0.75 ALDH1A1 (0.57) MAPTNPC1RAB9A
SCHEMBL16253024 0.74 RORC (0.59) MAPTSMN1; SMN2RORCNPC1RAB9A
SCHEMBL892695 0.74 SMN1; SMN2 (0.58) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10518851 0.74 PARP1 (0.53) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13901730 0.74 NPC1 (0.90) MAPTSMN1; SMN2RORCNPC1RAB9A

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
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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide 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 (2 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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety MMP11, MMP13, MMP14 MAPT 4194/4885SMN1; SMN2 1265/4885RORC 3699/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 MAPT 4420/4885SMN1; SMN2 1734/4885RORC 3214/4885

“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.