SCHEMBL3023937

SCHEMBL3023937

O=C(O)c1[nH]c2cc(OCCO)ccc2c1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 4/20 0.49
GPR35 Q9HC97 1/20 0.49
MAOA P21397 1/20 0.47
MCL1 Q07820 7/20 0.45
BCL2 P10415 3/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL3027606 0.89 MTNR1A (0.52) GPR35MCL1BCL2MTNR1AMTNR1B
SCHEMBL5265037 0.87 GPR17 (0.50) GPR17GPR35MAOAMCL1BCL2
SCHEMBL3881674 0.82 KDM4E (0.52)
SCHEMBL3877334 0.75 KDM4E (0.51) GPR17MAOAMTNR1AMTNR1B
SCHEMBL3033953 0.73 GPR35 (0.65) GPR17GPR35
SCHEMBL17452545 0.71 PRKAG1 (0.68) MAOAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27389076 0.71 KDM4E (0.56) MAOA
SCHEMBL12886607 0.71 MAOA (0.57) MAOAMCL1
SCHEMBL3035497 0.70 KDM4E (0.52) GPR35PDE3BPDE3AP2RY12
SCHEMBL3879316 0.69 KDM4E (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 GPR17 1384/4885GPR35 4091/4885MAOA 1265/4885

“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.