SCHEMBL21463695

SCHEMBL21463695

O=[N+]([O-])c1ccccc1Nc1ccc(Br)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CASP7 P55210 1/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
PKM P14618 1/20 0.57
EPAS1 Q99814 1/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
LRRK2 Q5S007 1/20 0.44
EGFR P00533 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL30615647 1.00 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL30615522 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL21463438 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL30079593 0.82 MAPK1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL9995299 0.82 MAPK1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL4944345 0.82 L3MBTL1 (0.60) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11506844 0.81 ALDH1A1 (0.89) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL338789 0.80 MAPK1 (0.74) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL28492301 0.78 MAPK1 (0.58) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL31047216 0.78 TSHR (0.43) ALDH1A1TDP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 EP disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH ALDH1A1 4726/4885MAPK1 2185/4885TDP1 4367/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH ALDH1A1 4726/4885MAPK1 2185/4885TDP1 4367/4885

“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.