SCHEMBL7747992

SCHEMBL7747992

Nc1ccc2c(N)c(N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 2/20 0.44
CASP7 P55210 2/20 0.44
HBB P68871 2/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TYMS P04818 1/20 0.40
HTT P42858 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL7752238 0.83 CTDSP1 (0.48) PLAUALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL2445157 0.82 ALDH1A1 (0.57) PLAUALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL20916274 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL8121539 0.79 ALDH1A1 (0.55) PLAUALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL31255813 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL3647353 0.79 ALDH1A1 (0.48) PLAUALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL5513548 0.77 PLAU (0.44) PLAUALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL6126980 0.77 KDM4E (0.50) PLAUALDH1A1HSD17B10KDM4EMEN1
SCHEMBL18829452 0.77 LMNA (0.39) ALDH1A1HSD17B10HIF1AKDM4EMEN1
SCHEMBL8411722 0.77 PLAU (0.53) PLAUALDH1A1CYP3A4HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor OSAKA UNIVERSITY (JP) 2020-10-06 US disclosed
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR OSAKA UNIVERSITY (JP) 2019-11-07 US disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
CN-103374354-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2013-10-30 CN disclosed
US-20130281618-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2013-10-24 US disclosed
EP-0710684-B1 Preparation process of polyhydroxycarboxylic acid MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed
EP-0705863-A1 Two stage melt polymerization process for making polybenzimidazoles HOECHST CELANESE CORPORATION (US) 1996-04-10 EP disclosed
US-4717764-A Two stage melt polymerization process for making polymers containing aromatic amide groups CELANESE CORPORATION (US) 1988-01-05 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-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor CYP24A1, CYP26B1, CYP21A2 PLAU 4495/4885ALDH1A1 600/4885CYP3A4 389/4885
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR CYP24A1, CYP26B1, CYP21A2 PLAU 4495/4885ALDH1A1 600/4885CYP3A4 389/4885

“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.