SCHEMBL26528548

SCHEMBL26528548

O=[N+]([O-])c1ccccc1-c1cc2c(c3ccccc13)c1cccc3c4ccccc4n2c31

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37

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
SCHEMBL31722551 0.88 TDP1 (0.42) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL26350538 0.87 KMT2A (0.42) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL20569360 0.81 TDP1 (0.46) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL26528557 0.81 PARP14 (0.36) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL24161835 0.81 ALDH1A1 (0.46) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL19725228 0.80 ALDH1A1 (0.51) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL31722740 0.79 ALDH1A1 (0.43) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL17029060 0.78 ALDH1A1 (0.46) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL17029044 0.77 TDP1 (0.44) TDP1KMT2ARAB9ANPC1MEN1
SCHEMBL17022454 0.73 KDM4E (0.44) TDP1KMT2AMEN1ALDH1A1NPSR1

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-11787789-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-17 — — 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-11787789-B2 Compound for an organic electric element, an organic electric element using the same, and an electronic device thereof PIEZO1, ORAI2, OCIAD1 TDP1 2119/4885KMT2A 1455/4885RAB9A 3826/4885

“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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