SCHEMBL3312579

SCHEMBL3312579

COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(c3cccc([N+](=O)[O-])c3)C2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
MAPT P10636 2/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KMT2A Q03164 1/20 0.62
CA1 P00915 1/20 0.61
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL3310847 0.86 KMT2A (0.79) MAPTLMNAMAPK1NPSR1KMT2A
SCHEMBL3311114 0.82 KMT2A (0.68) KMT2ACA1MAOAMAOB
SCHEMBL3314492 0.81 KMT2A (0.67) KMT2ACA1MAOAMAOB
SCHEMBL3310647 0.81 MAOA (0.69) KMT2ACA1MAOAMAOB
SCHEMBL3310651 0.81 KMT2A (0.67) NPSR1KMT2ACA1MAOAMAOB
SCHEMBL3314103 0.80 ALDH1A1 (0.70) HTTMAPTLMNANPSR1KMT2A
SCHEMBL3313107 0.78 KMT2A (0.62) HTTMAPTKMT2ACA1MAOA
SCHEMBL3313102 0.76 MAOA (0.61) HTTMAPTLMNAMAPK1NPSR1
SCHEMBL23052467 0.75 MAOB (0.71) KMT2ACA1MAOAMAOB
SCHEMBL28260653 0.75 CA1 (0.71) KMT2ACA1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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 (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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C HTT 3164/4885MAPT 4438/4885LMNA 3697/4885

“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.