SCHEMBL82777

SCHEMBL82777

N#Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.60
PKM P14618 1/20 0.60
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NSD2 O96028 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
MAPK1 P28482 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP2C9 P11712 1/20 0.50
VCAM1 P19320 1/20 0.50
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL6687266 0.89 MAPT (0.64) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL4301297 0.87 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL12733342 0.86 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL1114152 0.83 MAPT (0.60) MAPTALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL18036523 0.82 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL16318378 0.80 VCAM1 (0.50) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL16318379 0.80 VCAM1 (0.50) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2711990 0.80 MAPT (0.77) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL4140342 0.80 MAPT (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL10058378 0.79 LMNA (0.46) MAPTPKMALDH1A1NPSR1L3MBTL1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145601-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYA THERAPEUTICS, INC. 2025-05-08 US disclosed
EP-4482831-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS Satya Therapeutics, Inc. (US) 2025-01-01 EP disclosed
CN-118696034-A Novel bicyclic compounds as RAD51 inhibitors 萨提亚疗法股份有限公司 2024-09-24 CN disclosed
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 WO disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
CN-100384846-C Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORP (US) 2008-04-30 CN disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US disclosed
CN-1688582-A Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORP (US) 2005-10-26 CN disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 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-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG MAPT 1939/4885PKM 1796/4885ALDH1A1 4097/4885
US-20250145601-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS RAD51, ERCC4, ERCC2 MAPT 222/4885PKM 3779/4885ALDH1A1 4307/4885

“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.