SCHEMBL13696709

SCHEMBL13696709

N/C(=N\Nc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GRIN1 Q05586 3/20 0.44
GRIN2B Q13224 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TYR P14679 1/20 0.40
TSHR P16473 1/20 0.40
TAS2R38 P59533 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL31578753 0.98 GAA (0.50) GAARAB9ANPC1KMT2AMEN1
SCHEMBL2746282 0.79 GAA (0.53) GAARAB9AKMT2AMEN1MAPT
SCHEMBL24167605 0.77 KMT2A (0.52) GAARAB9ANPC1KMT2AMEN1
SCHEMBL934433 0.77 GAA (0.61) GAARAB9ANPC1KMT2AMEN1
SCHEMBL3930232 0.77 GAA (0.47) GAARAB9AKMT2AMEN1MAPT
SCHEMBL3930237 0.77 GAA (0.47) GAARAB9AKMT2AMEN1MAPT
SCHEMBL21816341 0.77 GAA (0.47) GAARAB9AKMT2AMEN1MAPT
SCHEMBL15033114 0.76 HDAC1 (0.49) GAARAB9ANPC1KMT2AMEN1
SCHEMBL9883333 0.76 GAA (0.51) GAARAB9AKMT2AMEN1MAPT
SCHEMBL4487424 0.76 MEN1 (0.50) GAARAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
WO-2015093814-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-25 WO disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 GAA 1253/4885RAB9A 1308/4885NPC1 211/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 GAA 1253/4885RAB9A 1308/4885NPC1 211/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA GAA 2861/4885RAB9A 4367/4885NPC1 4336/4885

“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.