SCHEMBL3360437

SCHEMBL3360437

COc1cccc2c1C(NC1=Nc3cc[c]cc3C(C(N)=O)O1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3358172 0.95 ACHE (0.35) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL2780555 0.84 ADRA2A (0.44) KMT2AMEN1TAS1R3TAS1R1TAS1R2
SCHEMBL2778817 0.83 LMNA (0.33) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL2780825 0.79 AURKA (0.39) KMT2AMEN1CA1CA2KDM4E
SCHEMBL3357795 0.76 HDAC6 (0.36) CA1CA2
SCHEMBL3356170 0.74 JAK2 (0.31)
SCHEMBL2799990 0.74 JAK2 (0.31)
SCHEMBL3361171 0.73 HDAC3 (0.39) KMT2AMEN1KDM4EALDH1A1
SCHEMBL3429698 0.71 IRAK4 (0.39) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL2616048 0.68 PFKFB3 (0.35) KMT2AMEN1TAS1R3TAS1R1TDP1

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
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP claimed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US claimed
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 KMT2A 1797/4885MEN1 4616/4885TAS1R3 220/4885

“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.