SCHEMBL168219

SCHEMBL168219

CCOc1cn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
PDE4B Q07343 5/20 0.47
PDE4D Q08499 5/20 0.47
MAPT P10636 2/20 0.45
PDE4A P27815 4/20 0.45
PDE4C Q08493 4/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 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
SCHEMBL168930 0.86 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL176089 0.74 NPC1 (0.56) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL167859 0.73 RXRA (0.43) MEN1KMT2AALDH1A1AURKA
SCHEMBL6487241 0.71 NPSR1 (0.54) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22660904 0.68 MAPT (0.57) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL166572 0.68 AURKA (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1985000 0.67 CHRNB2 (0.65) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL31037156 0.67 CHRNB2 (0.65) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL30935045 0.66 MEN1 (0.53) KEAP1NFE2L2PDE4BPDE4DMAPT
SCHEMBL30716312 0.66 KEAP1 (0.47) KEAP1NFE2L2MAPTMEN1KMT2A

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-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 KEAP1 3052/4885NFE2L2 2156/4885PDE4B 2356/4885

“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.