SCHEMBL6427012

SCHEMBL6427012

O=C(O)c1nn2c(c1[N+](=O)[O-])CCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6382528 0.95 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6384570 0.94 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGD
SCHEMBL31158519 0.84 MAPK1 (0.39) ALDH1A1SMN1; SMN2HPGD
SCHEMBL6383925 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6381321 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6381885 0.76 HTT (0.39) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL3387081 0.76 MAPT (0.40) ALDH1A1SMN1; SMN2L3MBTL1PTGS1PTGS2
SCHEMBL28480405 0.73
SCHEMBL29777610 0.73 KDM4E (0.35) ALDH1A1L3MBTL1
SCHEMBL6380642 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGD

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
US-20260125346-A1 Isoquinolinone Derivatives and 4H-Quinolizinone Derivatives and Pharmaceutical Compositions Thereof for the Treatment of Disease BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
EP-4709711-A1 ISOQUINOLINONE DERIVATIVES AND 4H-QUINOLIZINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE Beone Medicines I GmbH (CH) 2026-03-18 EP disclosed
WO-2024230803-A1 ISOQUINOLINONE DERIVATIVES AND 4H-QUINOLIZINONE DERIVATIVES AND PHARMARCEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE BEIGENE, LTD. (GB) 2024-11-14 WO disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B ALDH1A1 720/4885SMN1; SMN2 2441/4885HPGD 83/4885
US-20260125346-A1 Isoquinolinone Derivatives and 4H-Quinolizinone Derivatives and Pharmaceutical Compositions Thereof for the Treatment of Disease NR3C1, NR3C2, PIK3R4 ALDH1A1 1598/4885SMN1; SMN2 1452/4885HPGD 1392/4885

“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.