SCHEMBL17652916

SCHEMBL17652916

Cc1nc2cc3nc4ccccc4nc3cc2nc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.68
MAPT P10636 5/20 0.58
MEN1 O00255 3/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
USP2 O75604 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
CYP1A2 P05177 3/20 0.52
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
GPR3 P46089 1/20 0.50
GAA P10253 1/20 0.50
STAT3 P40763 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL103601 0.89 MAPT (0.62) NQO2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL29364974 0.89 MAPT (0.62) NQO2MAPTL3MBTL1ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL27821564 0.86 MAPT (0.59) NQO2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL11011451 0.86 MAPT (0.59) NQO2MAPTL3MBTL1ALDH1A1KDM4E
Water SCHEMBL27864881 0.86 MAPT (0.59) NQO2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL4612924 0.86 MAPT (0.79) NQO2MAPTMEN1NPC1KMT2A
SCHEMBL29614768 0.86 MAPT (0.79) NQO2MAPTMEN1NPC1KMT2A
SCHEMBL13156546 0.86 MAPT (0.79) NQO2MAPTMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL28590789 0.83 MAPT (0.56) NQO2MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL13388977 0.83 TDP1 (0.46) NQO2MAPTMEN1NPC1KMT2A

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-10326090-B2 Semiconductor composition comprising an inorganic semiconducting material and an organic binder MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-10326090-B2 Semiconductor composition comprising an inorganic semiconducting material and an organic binder MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20170309848-A1 Semiconductor Composition Comprising an Inorganic Semiconducting Material and an Organic Binder MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-20170309848-A1 Semiconductor Composition Comprising an Inorganic Semiconducting Material and an Organic Binder MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-20170309848-A1 Semiconductor Composition Comprising an Inorganic Semiconducting Material and an Organic Binder MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
EP-3201960-A1 SEMICONDUCTOR COMPOSITION COMPRISING AN INORGANIC SEMICONDUCTING MATERIAL AND AN ORGANIC BINDER Merck Patent GmbH (DE) 2017-08-09 EP disclosed
WO-2016050335-A1 SEMICONDUCTOR COMPOSITION COMPRISING AN INORGANIC SEMICONDUCTING MATERIAL AND AN ORGANIC BINDER MERCK PATENT GMBH (DE) 2016-04-07 WO disclosed
WO-2016050335-A1 SEMICONDUCTOR COMPOSITION COMPRISING AN INORGANIC SEMICONDUCTING MATERIAL AND AN ORGANIC BINDER MERCK PATENT GMBH (DE) 2016-04-07 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 (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-20170309848-A1 Semiconductor Composition Comprising an Inorganic Semiconducting Material and an Organic Binder S100A4, EPCAM, MDM4 NQO2 3547/4885MAPT 272/4885MEN1 2316/4885
US-10326090-B2 Semiconductor composition comprising an inorganic semiconducting material and an organic binder S100A4, EPCAM, MDM4 NQO2 3509/4885MAPT 278/4885MEN1 2327/4885

“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.