SCHEMBL15052681

SCHEMBL15052681

COc1cc(C=CC(=O)n2nnc3ccccc32)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
XBP1 P17861 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
MDM2 Q00987 1/20 0.55
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 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
SCHEMBL15052680 1.00 MAPT (0.60) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL15052744 0.84 MAPT (0.54) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL15052746 0.84 MAPT (0.54) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL15052768 0.84 MAPT (0.57) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL15053023 0.84 MAPT (0.57) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL457014 0.84 MAPT (0.57) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL15053022 0.84 MAPT (0.57) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL463197 0.82 MAPT (0.70) MAPTNPSR1ALDH1A1LMNACYP3A4
SCHEMBL462921 0.82 F12 (0.60) MAPTNPSR1ALDH1A1LMNACYP1A2
SCHEMBL462920 0.82 F12 (0.60) MAPTNPSR1ALDH1A1LMNACYP1A2

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-8853276-B2 Guanidine derivatives in cinnamic series PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2014-10-07 US disclosed
EP-2614046-B1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PROD CHIM AUXILIAIRES ET DE SYNTHESE (FR) 2014-08-20 EP disclosed
US-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2013-06-27 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-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES GMPS, UNG, AGER MAPT 2457/4885NPSR1 4424/4885ALDH1A1 204/4885

“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.