SCHEMBL29311797

SCHEMBL29311797

O=[N+]([O-])c1c(-c2ccc3c(c2)c2cccc4c5ccccc5n3c42)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 5/20 0.39
▸ POLB P06746 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HNF4A P41235 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL29311792 0.82 ALDH1A1 (0.43) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL29311796 0.82 ALDH1A1 (0.40) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL24161835 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL18201473 0.78 CYP3A4 (0.56) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL15460069 0.76 CA12 (0.42) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL15460071 0.75 MCL1 (0.41) —
SCHEMBL21717827 0.75 ALDH1A1 (0.40) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL16621744 0.75 MAPT (0.58) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL16621739 0.74 KDM4E (0.44) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL10153530 0.74 KDM4E (0.44) MEN1KMT2AMAPTPOLBALDH1A1

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 CYP3A4 16/4885TSHR 4715/4885MEN1 581/4885

“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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