SCHEMBL13201394

SCHEMBL13201394

CN1C(=O)NC(C)(c2ccc(I)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CNR1 P21554 4/20 0.44
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.39
APP P05067 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20290463 0.82 L3MBTL1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL5303102 0.75 CYP2C19 (0.71) CNR1GAATSHRCYP2C19LMNA
SCHEMBL10246211 0.71 BACE1 (0.44) ALDH1A1GAATSHRCYP2C19APP
SCHEMBL10131744 0.70 LMNA (0.51) ALDH1A1CNR1LMNAKMT2A
SCHEMBL10131458 0.68 CNR1 (0.38) ALDH1A1CNR1LMNAKMT2A
SCHEMBL4237258 0.67 ALDH1A1 (0.56) ALDH1A1GAATSHRCYP2C19APP
SCHEMBL24133231 0.65 TSHR (0.37) ALDH1A1TSHRCYP2C19LMNA
SCHEMBL3970286 0.63 CNR1 (0.36) CNR1
SCHEMBL3126654 0.62 POLB (0.52) ALDH1A1KDM4ETSHRCYP2C19LMNA
SCHEMBL3968265 0.62 CNR1 (0.39) ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1372/4885CNR1 1743/4885KDM4E 4550/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1372/4885CNR1 1743/4885KDM4E 4550/4885

“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.