SCHEMBL16835964

SCHEMBL16835964

Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 4/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CXCR5 P32302 1/20 0.44
APLNR P35414 1/20 0.44
CCR6 P51684 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.42
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL30182411 0.88 RAB9A (0.53) MAPTLMNARAB9AKMT2AHSP90AA1
SCHEMBL295673 0.88 RAB9A (0.53) MAPTLMNARAB9AKMT2AHSP90AA1
SCHEMBL8974165 0.86 NPC1 (0.53) MAPTLMNARAB9AKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL27646035 0.86 RAB9A (0.51) MAPTLMNARAB9AKMT2AHSP90AA1
SCHEMBL7035834 0.85 ACHE (0.57) MAPTLMNARAB9AKMT2AHSP90AA1
SCHEMBL27617094 0.84 RAB9A (0.56) MAPTLMNARAB9AKMT2AALDH1A1
SCHEMBL7035833 0.81 NPC1 (0.46) MAPTLMNARAB9AKMT2AALDH1A1
SCHEMBL14988505 0.80 TSHR (0.50) MAPTLMNARAB9AKMT2AHSP90AA1
SCHEMBL16835955 0.80 MAPT (0.47) MAPTLMNARAB9AKMT2AALDH1A1
SCHEMBL3156019 0.80 MAPT (0.52) MAPTLMNARAB9AKMT2AHSP90AA1

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-9981964-B2 Maleimide derivatives as modulators of wnt pathway AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-29 US disclosed
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed
EP-3083622-B1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY SCIENCE TECH & RES (SG) 2018-03-21 EP disclosed
US-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-03 US disclosed
EP-3083622-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY Agency For Science, Technology And Research (SG) 2016-10-26 EP disclosed
CN-106061974-A Maleimide derivatives as modulators of WNT pathway 新加坡科技研究局 2016-10-26 CN disclosed
WO-2015187094-A1 PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 WO disclosed
WO-2015094118-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 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-20160318926-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY WNT1, WNT3, CTNNB1 MAPT 632/4885LMNA 497/4885RAB9A 2898/4885

“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.