SCHEMBL5443607

SCHEMBL5443607

Nc1ccc2c(c1)c(Cl)nn2CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ ACHE P22303 2/20 0.39
▸ GRM2 Q14416 5/20 0.38
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ CFD P00746 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TDO2 P48775 1/20 0.32

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
SCHEMBL5437713 0.94 CNR1 (0.40) KDM4CCNR1CNR2ACHEGRM2
SCHEMBL23467039 0.80 KDM4C (0.40) KDM4CCNR1CNR2ACHEGRM2
SCHEMBL29770896 0.80 KDM4C (0.40) KDM4CCNR1CNR2ACHEGRM2
SCHEMBL5307216 0.78 CNR2 (0.48) KDM4CCNR1CNR2ACHEPOLB
SCHEMBL27713903 0.77 KDM4C (0.43) KDM4CCNR1CFDOPRM1OPRD1
SCHEMBL5464861 0.75 CNR1 (0.39) CNR1CNR2ACHEKMT2AGRM4
SCHEMBL6069757 0.74 CNR2 (0.54) KDM4CCNR1CNR2ACHEPOLB
SCHEMBL23467068 0.74 CNR2 (0.45) KDM4CCNR1CNR2GRM2CFD
SCHEMBL5438052 0.73 CNR2 (0.52) CNR1CNR2ACHEKMT2A
SCHEMBL5297088 0.72 CNR1 (0.49) CNR1CNR2ACHEPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098857-A Nitro indazole derivatives ASTRAZENECA AB (SE) 2008-01-02 — — CN disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 — — US disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 — — US disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 — — 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 (1 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-20070265325-A1 Nitro Indazole Derivatives NOS3, CYP3A43, NOS2 KDM4C 2982/4885CNR1 155/4885CNR2 210/4885

“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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