SCHEMBL8188282

SCHEMBL8188282

N#Cc1ccc2c(c1)NC(=O)c1cccnc1O2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.50
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CHEK1 O14757 1/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL8204475 0.81 CYP1A2 (0.42) ABL1CYP1A2SMN1; SMN2JUNNFKB1
SCHEMBL9175873 0.81 MAPT (0.58) CYP1A2SMN1; SMN2JUNNFKB1NFKB2
SCHEMBL9178423 0.81 HTR2A (0.54) CYP1A2SMN1; SMN2JUNNFKB1NFKB2
SCHEMBL30536418 0.80 ABL1 (0.52) ABL1CHEK1ALDH1A1MAPTLRRK2
SCHEMBL1367080 0.78 CYP1A2 (0.55) CYP1A2SMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL13343869 0.78 LMNA (0.41) ABL1CYP1A2SMN1; SMN2JUNNFKB1
SCHEMBL21332925 0.73 ABL1 (0.53) ABL1CHEK1HTR2AMAPTMCL1
SCHEMBL28404933 0.71 ABL1 (0.43) ABL1
SCHEMBL7336729 0.70 CYP1A2 (0.55) CYP1A2SMN1; SMN2CHEK1ALDH1A1NPC1
SCHEMBL6256089 0.68 ABL1 (0.41) ABL1CHEK1PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ABL1 3141/4885CYP1A2 635/4885SMN1; SMN2 4520/4885

“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.