SCHEMBL24445945

SCHEMBL24445945

O=[N+]([O-])c1sccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
BCAT2 O15382 1/20 0.44
PTGS2 P35354 3/20 0.42
LMNA P02545 3/20 0.40
HPRT1 P00492 1/20 0.40
POLB P06746 6/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 4/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 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
SCHEMBL27458731 0.81 PTGS1 (0.46) ALDH1A1PTGS2POLBKMT2AMEN1
SCHEMBL7460591 0.81 KMT2A (0.40) ALDH1A1TDP1PTGS2LMNAPOLB
SCHEMBL7462691 0.81 PTGS2 (0.47) ALDH1A1TDP1PTGS2LMNAHPRT1
SCHEMBL8645301 0.80 MEN1 (0.45) ALDH1A1TDP1POLBKMT2AMEN1
SCHEMBL27796267 0.76 SMN1; SMN2 (0.45) ALDH1A1LMNAPOLBRAB9AKMT2A
SCHEMBL7459172 0.73 ALDH1A1 (0.55) ALDH1A1TDP1PTGS2LMNARAB9A
SCHEMBL8158049 0.73 CRHBP (0.46) ALDH1A1TDP1LMNAHPRT1POLB
SCHEMBL6873294 0.73 PDE7A (0.41) ALDH1A1TDP1LMNAPOLBRAB9A
SCHEMBL28903910 0.70 ALDH1A1 (0.58) ALDH1A1TDP1PTGS2LMNAHPRT1
SCHEMBL28903857 0.69 ALDH1A1 (0.45) ALDH1A1TDP1LMNAHPRT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME SFC CO., LTD. (KR) 2023-01-05 US disclosed
EP-4001284-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC Co., Ltd. (KR) 2022-05-25 EP 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-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME CLTB, CD79B, RB1 ALDH1A1 159/4885TDP1 1975/4885BCAT2 34/4885

“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.