SCHEMBL3589304

SCHEMBL3589304

COc1c(N=C(c2ccccc2)c2ccccc2)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
MAOA P21397 2/20 0.34
CYP19A1 P11511 1/20 0.34
ABCC1 P33527 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL3580492 0.80 GAA (0.52) GAACA1CA2MAOAKMT2A
SCHEMBL3580548 0.78 CA1 (0.46) GAACA1CA2ABCC1ABCG2
SCHEMBL3586172 0.77 CYP19A1 (0.41) GAACA1CA2MAOACYP19A1
SCHEMBL3584338 0.77 CA1 (0.41) GAACA1CA2MAOACYP19A1
SCHEMBL3578506 0.77 CA1 (0.43) GAACA1CA2CYP19A1KMT2A
SCHEMBL14185173 0.72 GAA (0.51) GAACA1CA2MAOAKMT2A
SCHEMBL3587585 0.72 ALPL (0.36) GAACA1CA2MAOACYP1A1
SCHEMBL14185172 0.71 GAA (0.49) GAACA1CA2MAOAKMT2A
SCHEMBL14185181 0.70 GAA (0.48) GAAMAOAKMT2AKDM4EPOLB
SCHEMBL14185207 0.70 MAOA (0.49) GAACA1MAOACYP1A1CYP1B1

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
US-7732435-B2 Chromone derivatives useful as antagonists of VR1 receptors NOVARTIS AG (CH) 2010-06-08 US disclosed
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors CULSHAW ANDREW JAMES 2008-12-18 US disclosed
EP-1963334-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065888-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS NOVARTIS AG (CH) 2007-06-14 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-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 GAA 3764/4885CA1 2466/4885CA2 628/4885

“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.