SCHEMBL5102019

SCHEMBL5102019

COC(=O)CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.49
▸ NOS1 P29475 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5098002 0.82 MEN1 (0.46) NOS2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL27640670 0.81 NOS3 (0.50) NOS3NOS1NOS2ALDH1A1NPSR1
SCHEMBL4659391 0.81 MAPT (0.48) NOS3NOS1NOS2L3MBTL1SMN1; SMN2
SCHEMBL4993348 0.80 PDGFRB (0.56) NOS3NOS1NOS2L3MBTL1SMN1; SMN2
SCHEMBL5101717 0.79 MAPT (0.48) L3MBTL1ALDH1A1PKMKMT2AMEN1
SCHEMBL29848581 0.77 TSHR (0.47) NOS3NOS1NOS2L3MBTL1SMN1; SMN2
SCHEMBL21061659 0.77 TSHR (0.47) NOS3NOS1NOS2L3MBTL1SMN1; SMN2
SCHEMBL15234195 0.76 MAPT (0.50) NOS3NOS1NOS2L3MBTL1SMN1; SMN2
SCHEMBL1663911 0.75 NOS3 (0.63) NOS3NOS1NOS2L3MBTL1ALDH1A1
SCHEMBL30436280 0.74 PKM (0.44) NOS3NOS1NOS2L3MBTL1SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 — — US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 — — US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 — — US disclosed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 — — EP disclosed
US-7119088-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-10-10 — — US disclosed
US-20060194794-A1 Triazole compounds useful in therapy PFIZER INC 2006-08-31 — — US disclosed
EP-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 — — EP disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 — — US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 — — WO disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 — — 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-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 NOS3 1203/4885NOS1 2717/4885NOS2 2272/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 NOS3 1853/4885NOS1 2229/4885NOS2 3019/4885

“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.

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