SCHEMBL31453083

SCHEMBL31453083

O=Cc1c(Cl)ccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.38
HSP90AA1 P07900 1/20 0.37
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
PTGER4 P35408 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE7A Q13946 3/20 0.33
TYMS P04818 1/20 0.32
PDE7B Q9NP56 1/20 0.32

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
SCHEMBL11049330 0.85 VCAM1 (0.47) VCAM1ALDH1A1TDP1MEN1KMT2A
SCHEMBL14486448 0.85 ERN1 (0.38) VCAM1ALDH1A1TDP1HSP90AA1PMM2
SCHEMBL30644796 0.77 TSHR (0.43) VCAM1ALDH1A1TDP1TSHRPMM2
SCHEMBL11356037 0.76 TDP1 (0.45) VCAM1ALDH1A1TDP1MEN1KMT2A
SCHEMBL25171482 0.74 PTGER4 (0.41) VCAM1ALDH1A1TDP1TSHRPMM2
SCHEMBL3469093 0.73 ALDH1A1 (0.44) ALDH1A1TDP1TSHRPMM2MPI
SCHEMBL30729476 0.73 PTGER4 (0.50) VCAM1ALDH1A1TDP1TSHRPMM2
SCHEMBL16175008 0.73 PTGER4 (0.50) VCAM1ALDH1A1TDP1TSHRPMM2
SCHEMBL5583401 0.73 VCAM1 (0.51) VCAM1ALDH1A1TDP1MEN1KMT2A
SCHEMBL27927484 0.72 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AHSD17B10

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-20250361210-A1 3,4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2025-11-27 US disclosed
EP-4512801-A1 3,4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUND Kissei Pharmaceutical Co., Ltd. (JP) 2025-02-26 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-20250361210-A1 3,4-DIHYDROQUINOLIN-2(1H)-ONE COMPOUND TSHR, TRHR, GHSR VCAM1 1976/4885ALDH1A1 1515/4885TDP1 2580/4885

“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.