SCHEMBL9178607

SCHEMBL9178607

COc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.41
PKM P14618 1/20 0.41
KAT2B Q92831 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL30390090 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1HTTTDP1MAPT
SCHEMBL8986027 0.82 LMNA (0.44) ALDH1A1MAPK1HTTTDP1MAPT
SCHEMBL29865611 0.82 HTT (0.50) ALDH1A1HTTTDP1MAPTPKM
SCHEMBL2207311 0.82 HTT (0.50) ALDH1A1HTTTDP1MAPTPKM
SCHEMBL1559460 0.82 ALDH1A1 (0.44) ALDH1A1HTTTDP1MAPTPKM
SCHEMBL9983681 0.82 SMN1; SMN2 (0.51) ALDH1A1MAPK1TDP1MAPTL3MBTL1
SCHEMBL3357119 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1HTTTDP1MAPT
SCHEMBL3368574 0.81 MAPT (0.40) ALDH1A1HTTTDP1MAPTPKM
SCHEMBL14060514 0.81 PIN1 (0.38) ALDH1A1MAPK1HTTTDP1MAPT
SCHEMBL8514116 0.81 PIN1 (0.44) ALDH1A1MAPK1HTTTDP1MAPT

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-12590098-B2 Pyrimido pyrimidinone compound and pharmaceutical composition comprising the same AXCESO BIOPHARMA CO., LTD. (KR) 2026-03-31 US disclosed
EP-4215533-B1 PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AXCESO BIOPHARMA CO LTD (KR) 2026-02-11 EP disclosed
US-20230348474-A1 PYRIMIDO PYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AXCESO BIOPHARMA CO., LTD. (KR) 2023-11-02 US disclosed
EP-4215533-A1 PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Axceso Biopharma Co., Ltd. (KR) 2023-07-26 EP disclosed
CN-116137815-A Pyrimidopyrimidinone compounds and pharmaceutical compositions containing the same 埃克斯索生物制药有限公司 2023-05-19 CN disclosed
US-5378244-A Bright blue; colorfastness; hair dyes KAO CORPORATION (JP) 1995-01-03 US disclosed
EP-0559217-A1 2-Alkoxy-3,5-diaminopyridine derivatives and their salts, and dye compositions for keratinous fibers containing them KAO CORPORATION (JP) 1993-09-08 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 (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-20230348474-A1 PYRIMIDO PYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD1, PDCD1LG2, CD274 ALDH1A1 443/4885MAPK1 2547/4885HTT 2120/4885
US-12590098-B2 Pyrimido pyrimidinone compound and pharmaceutical composition comprising the same PDCD1, CD274, PDCD1LG2 ALDH1A1 25/4885MAPK1 408/4885HTT 2155/4885

“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.