SCHEMBL29311792

SCHEMBL29311792

O=[N+]([O-])c1ccc2ccccc2c1-c1ccc2c(c1)c1cccc3c4ccccc4n2c31

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ HPRT1 P00492 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CASP6 P55212 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL29311796 0.83 ALDH1A1 (0.40) ALDH1A1HPRT1MAPTPOLBKMT2A
SCHEMBL29311797 0.82 CYP3A4 (0.42) ALDH1A1HPRT1MAPTPOLBKMT2A
SCHEMBL24161835 0.81 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL19163664 0.79 HPRT1 (0.39) ALDH1A1HPRT1MAPTPOLBKMT2A
SCHEMBL15461985 0.78 ABCG2 (0.38) ALDH1A1HPRT1MAPTKMT2AMEN1
SCHEMBL15461996 0.78 NQO2 (0.39) ALDH1A1HPRT1MAPTPOLBKMT2A
SCHEMBL21717827 0.76 ALDH1A1 (0.40) ALDH1A1HPRT1MAPTPOLBKMT2A
SCHEMBL16621744 0.76 MAPT (0.58) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL21453597 0.75 HSD17B1 (0.39) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL16621739 0.75 KDM4E (0.44) ALDH1A1MAPTPOLBKMT2AMEN1

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-12041851-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2024-07-16 — — 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-12041851-B2 Compound and organic light emitting device comprising same CRY1, CYP1A1, TRPA1 ALDH1A1 25/4885HPRT1 164/4885MAPT 721/4885

“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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