SCHEMBL29557476

SCHEMBL29557476

NC(=O)[C@@H](N)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 9/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 2/20 0.47
MAPK1 P28482 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MITF O75030 1/20 0.44
PRSS1 P07477 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL6159827 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL29359698 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL6671231 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL21981238 0.84 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL29411662 0.84 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL27501764 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL21981237 0.81 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL5800525 0.80 MAPT (0.53) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL8375662 0.80 MAPT (0.48) ALDH1A1MAPTKDM4EPKMMAPK1
SCHEMBL14255280 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPKMKMT2A

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-4058448-B1 HYDANTOIN DERIVATIVES AS ADAMTS7 ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER AG (DE) 2024-05-29 EP disclosed
EP-3765022-B1 PYRIDIN-2-YL ALKYLAMINO SUBSTITUTED HYDROXAMIC ACID AND USES THEREOF HAWAII BIOTECH INC (US) 2024-05-01 EP disclosed
US-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-11306302-B2 Soluble Sortase A HOFFMANN-LA ROCHE INC. (US) 2022-04-19 US disclosed
US-11299461-B2 Pyridin-2-yl alkylamino substituted hydroxamic acid and uses thereof HAWAII BIOTECH, INC. (US) 2022-04-12 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-20230027985-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS ADAMTS7, MMP7, ADAMTS1 ALDH1A1 2009/4885MAPT 4378/4885KDM4E 2923/4885
US-11299461-B2 Pyridin-2-yl alkylamino substituted hydroxamic acid and uses thereof H1-5, HCAR3, H1-3 ALDH1A1 2060/4885MAPT 4866/4885KDM4E 1555/4885

“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.