SCHEMBL13201376

SCHEMBL13201376

CNc1nc2ccc(I)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
APP P05067 2/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX12 P18054 2/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
DYRK1A Q13627 6/20 0.43
CYP1A2 P05177 2/20 0.42

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
SCHEMBL17899997 0.86 APP (0.46) LDHAAPPNPC1RAB9AMAPT
SCHEMBL13151088 0.80 NPC1 (0.64) LDHAAPPNPC1RAB9AMAPT
SCHEMBL15582913 0.80 LCK (0.58) LDHANPC1RAB9AMAPTMEN1
SCHEMBL30123733 0.79 SMN1; SMN2 (0.61) LDHAAPPNPC1RAB9AMAPT
SCHEMBL12393158 0.79 MEN1 (0.70) LDHAAPPNPC1RAB9AMAPT
SCHEMBL1360505 0.79 DYRK1A (0.67) LDHAAPPMAPTHTTGAA
SCHEMBL1621806 0.79 RAB9A (0.65) LDHAAPPNPC1RAB9AMAPT
SCHEMBL15617128 0.79 MAPT (0.70) LDHAAPPNPC1RAB9AMAPT
SCHEMBL4501668 0.78 LDHA (0.53) LDHANPC1RAB9AMAPTMEN1
SCHEMBL4510083 0.77 NPC1 (0.52) LDHANPC1RAB9AMAPTMEN1

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 LDHA 875/4885APP 158/4885NPC1 536/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 LDHA 875/4885APP 158/4885NPC1 536/4885

“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.