SCHEMBL6648261

SCHEMBL6648261

O=C(O)Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 4/20 0.47
PDE10A Q9Y233 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 3/20 0.44
CTSB P07858 2/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6648266 1.00 MAPT (0.48) MAPTRAB9ANPC1CYP1A2PDE10A
SCHEMBL5264594 0.89 MAPT (0.47) MAPTRAB9ANPC1CYP1A2PDE10A
SCHEMBL5264598 0.89 MAPT (0.47) MAPTRAB9ANPC1CYP1A2PDE10A
Ethyl Acetate SCHEMBL29391722 0.87 RAB9A (0.48) MAPTRAB9ANPC1CYP1A2FFAR1
SCHEMBL7814155 0.85 PDE10A (0.46) MAPTRAB9ANPC1CYP1A2PDE10A
SCHEMBL7814152 0.85 MEN1 (0.48) MAPTRAB9ANPC1CYP1A2PDE10A
SCHEMBL15709862 0.81 LMNA (0.61) MAPTRAB9ANPC1PDE10AMEN1
SCHEMBL9656794 0.81 FFAR1 (0.52) MAPTRAB9ANPC1CYP1A2PDE10A
SCHEMBL3769047 0.81 PDE10A (0.51) MAPTRAB9ANPC1CYP1A2PDE10A
SCHEMBL31213729 0.80 ALDH1A1 (0.53) MAPTRAB9ANPC1PDE10AMEN1

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
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
US-20160159808-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3026051-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-01 EP disclosed
EP-1430053-A1 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
US-20030225131-A1 Thrombin inhibitors BURGEY CHRISTOPHER S (US) 2003-12-04 US disclosed
WO-2003027111-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 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-20030225131-A1 Thrombin inhibitors TFPI, SERPINC1, PLAT MAPT 3769/4885RAB9A 1208/4885NPC1 3762/4885
US-20160159808-A1 HETEROCYCLIC COMPOUND PDE2A, PDE3A, PDE5A MAPT 501/4885RAB9A 159/4885NPC1 2045/4885

“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.