SCHEMBL5840118

SCHEMBL5840118

COC(=O)C(C)/N=C/c1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ FAAH O00519 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
SCHEMBL5840120 1.00 CYP1A2 (0.43) CYP1A2LMNACYP2D6TSHRBLM
SCHEMBL28363898 0.83 NOS2 (0.51) LMNANPC1RAB9ANOS3NOS1
SCHEMBL28364140 0.78 CHRM5 (0.47) CYP1A2LMNANPSR1POLBNPC1
SCHEMBL7420416 0.76 NOS2 (0.49) LMNANOS3NOS1NOS2MEN1
SCHEMBL6992247 0.76 NOS2 (0.49) LMNANOS3NOS1NOS2MEN1
SCHEMBL7420415 0.76 NOS2 (0.49) LMNANOS3NOS1NOS2MEN1
SCHEMBL6992245 0.76 NOS2 (0.49) LMNANOS3NOS1NOS2MEN1
SCHEMBL6060227 0.76 NOS2 (0.52) LMNANPSR1HTTNOS3NOS1
SCHEMBL6059744 0.76 NOS2 (0.52) LMNANPSR1HTTNOS3NOS1
SCHEMBL6059739 0.76 NOS2 (0.52) LMNANPSR1HTTNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756406-B2 ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES; OSTEOARTHRITIS; INHIBITION OF THE INDUCIBLE NITRIC OXIDE SYNTHASE - INDUCED AFTER ACTIVATION OF VASCULAR SMOOTH MUSCLE, MACROPHAGES, ENDOTHELIAL CELLS BY ENOTOXIN AND CYTOKINES PHARMACIA CORPORATION 2004-06-29 — — US claimed
EP-1317416-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 — — EP claimed
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-09-12 — — US claimed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 — — WO claimed
US-7005450-B2 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2006-02-28 — — US disclosed
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2005-11-17 — — US disclosed
US-20040192779-A1 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors DURLEY RICHARD C (US) 2004-09-30 — — US disclosed
US-6756406-B2 ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES; OSTEOARTHRITIS; INHIBITION OF THE INDUCIBLE NITRIC OXIDE SYNTHASE - INDUCED AFTER ACTIVATION OF VASCULAR SMOOTH MUSCLE, MACROPHAGES, ENDOTHELIAL CELLS BY ENOTOXIN AND CYTOKINES PHARMACIA CORPORATION 2004-06-29 — — US disclosed
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-09-12 — — 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 (3 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-20040192779-A1 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 CYP1A2 219/4885LMNA 3169/4885CYP2D6 403/4885
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 CYP1A2 219/4885LMNA 3169/4885CYP2D6 403/4885
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 CYP1A2 219/4885LMNA 3169/4885CYP2D6 403/4885

“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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