SCHEMBL29531896

SCHEMBL29531896

Cc1ccc([N+](=O)[O-])c(Nc2cc(Nc3nc(C)ccc3[N+](=O)[O-])cc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NFKBIA P25963 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ P2RX1 P51575 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.41
▸ TXNRD3 Q86VQ6 1/20 0.41
▸ TXNRD2 Q9NNW7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EPAS1 Q99814 2/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ HSF1 Q00613 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
SCHEMBL10810171 0.77 GSK3B (0.58) MAPK1GAAL3MBTL1ALDH1A1CYP3A4
SCHEMBL29531950 0.77 MAPT (0.55) FGFR4MAPK1L3MBTL1RELAP2RX1
SCHEMBL24401645 0.76 RAPGEF4 (0.41) GAAALDH1A1
SCHEMBL29531552 0.76 RAPGEF4 (0.41) GAAALDH1A1
SCHEMBL16900176 0.76 RAB9A (0.55) L3MBTL1ALDH1A1HPGDTDP1HSF1
SCHEMBL17475834 0.74 FGFR4 (0.44) FGFR4MAPK1L3MBTL1RELAALDH1A1
SCHEMBL2464808 0.73 KIF11 (0.54) FGFR4MAPK1L3MBTL1EPAS1KIF11
SCHEMBL29532283 0.73 ALDH1A1 (0.43) MAPK1GAAL3MBTL1ALDH1A1CYP3A4
SCHEMBL31743939 0.73 MEN1 (0.48) MAPK1GAAL3MBTL1RELAALDH1A1
SCHEMBL20838507 0.72 NFKBIA (0.53) MAPK1GAANFKBIARELAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220140258-A1 IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE NATIONAL TSING HUA UNIVERSITY (TW) 2022-05-05 — — 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 (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-20220140258-A1 IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE NR2E3, CHRM1, CBR3 FGFR4 2163/4885MAPK1 2967/4885GAA 4867/4885

“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.

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