SCHEMBL4936375

SCHEMBL4936375

Nc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.54
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
HSPB1 P04792 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CDC7 O00311 1/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CLK1 P49759 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDR P35968 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
SCHEMBL3176280 0.83 RAB9A (0.54) LMNAHTTRAB9AHSPB1ALDH1A1
SCHEMBL1892428 0.79 MEN1 (0.50) RAB9AALDH1A1MAPTGAAKDR
SCHEMBL2763413 0.78 HTT (0.50) LMNAHTTRAB9AHSPB1ALDH1A1
SCHEMBL3187491 0.78 RAB9A (0.49) LMNAHTTRAB9AHSPB1ALDH1A1
SCHEMBL1888125 0.78 MEN1 (0.68) LMNAHTTRAB9AHSPB1ALDH1A1
SCHEMBL12813013 0.77 ALDH1A1 (0.55) ROCK1HTTALDH1A1CA1CA2
SCHEMBL23323402 0.76 RAB9A (0.52) LMNAHTTRAB9AHSPB1ALDH1A1
SCHEMBL12050816 0.76 HSPB1 (0.55) LMNAHTTRAB9AHSPB1ALDH1A1
SCHEMBL580833 0.76 CLK1 (0.49) ROCK1LMNAHTTRAB9AHSPB1
SCHEMBL31403749 0.76 MAP4K4 (0.51) ROCK1HTTRAB9AALDH1A1NPSR1

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
EP-4025570-A1 HYDANTOIN DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2022-07-13 EP disclosed
WO-2021043245-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 WO disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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 (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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA ROCK1 1149/4885LMNA 2847/4885HTT 766/4885

“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.