SCHEMBL27009697

SCHEMBL27009697

O=[N+]([O-])c1cccc(Br)c1-c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
S100A4 P26447 2/20 0.49
PTPRC P08575 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
HPRT1 P00492 1/20 0.44
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CTSB P07858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27009722 0.89 S100A4 (0.53) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL27009727 0.85 S100A4 (0.44) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL11597781 0.85 ALDH1A1 (0.65) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL17998719 0.82 ALDH1A1 (0.59) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL31219526 0.82 ALDH1A1 (0.59) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL28981703 0.81 ALDH1A1 (0.59) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL8944627 0.81 ALDH1A1 (0.59) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL31725 0.80 ALDH1A1 (0.71) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL29848512 0.80 ALDH1A1 (0.71) ALDH1A1S100A4PTPRCTDP1MAPT
SCHEMBL30443747 0.80 ALDH1A1 (0.71) ALDH1A1S100A4PTPRCTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074306-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-02-29 US disclosed
US-20240074306-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-02-29 US disclosed
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 US disclosed
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 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 (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-20240074306-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, NOTUM, WEE1 ALDH1A1 87/4885S100A4 3582/4885PTPRC 4452/4885
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CYP2C9 ALDH1A1 38/4885S100A4 3044/4885PTPRC 4122/4885

“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.