SCHEMBL17629705

SCHEMBL17629705

O=C1NC(=O)c2ccc(N(c3ccccc3)c3ccccc3)c3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ POLB P06746 4/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ PARP1 P09874 3/20 0.53
▸ CASP7 P55210 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ RGS12 O14924 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ GNAI1 P63096 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ BRCA1 P38398 1/20 0.53

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
SCHEMBL23546672 0.83 KEAP1 (0.47) MEN1KMT2APOLBTDP1CASP7
SCHEMBL133233 0.83 KEAP1 (0.47) MEN1KMT2APOLBTDP1CASP7
SCHEMBL23843536 0.82 PARP1 (0.50) MEN1KMT2APOLBTDP1PARP1
SCHEMBL15247025 0.82 CRHBP (0.46) MEN1KMT2APOLBTDP1CASP7
SCHEMBL30831694 0.79 MEN1 (0.69) MEN1KMT2APOLBTDP1PARP1
SCHEMBL3501337 0.79 MEN1 (0.69) MEN1KMT2APOLBTDP1PARP1
SCHEMBL28121288 0.79 MEN1 (0.47) MEN1KMT2APOLBTDP1PARP1
SCHEMBL5002787 0.78 CRHBP (0.42) MEN1KMT2APOLBTDP1NPSR1
SCHEMBL12019780 0.77 TDP1 (0.37) MEN1KMT2APOLBTDP1MAPT
SCHEMBL12019935 0.77 TDP1 (0.37) MEN1KMT2APOLBTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861142-A 2, 5-furandicarboxylic acid and preparation method thereof 新乡学院 2021-12-31 — — CN disclosed
WO-2021188392-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2021-09-23 — — WO disclosed
US-10074805-B2 Fluorescent organic light emitting elements having high efficiency UDC IRELAND LIMITED (IE) 2018-09-11 — — US disclosed
US-20170263868-A1 Fluorescent Organic Light Emitting Elements Having High Efficiency UDC IRELAND LTD (IE) 2017-09-14 — — US disclosed
WO-2016046034-A1 FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY BASF SE (DE) 2016-03-31 — — WO 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-20170263868-A1 Fluorescent Organic Light Emitting Elements Having High Efficiency TEAD2, TEAD1, TEAD4 MEN1 1425/4885KMT2A 2692/4885POLB 2520/4885
US-10074805-B2 Fluorescent organic light emitting elements having high efficiency TEAD2, TEAD1, TEAD4 MEN1 1425/4885KMT2A 2692/4885POLB 2520/4885

“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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