SCHEMBL1137576

SCHEMBL1137576

O=C(O)c1cnn2ccn(Cc3ccc4ccccc4c3)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TBXAS1 P24557 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.38
FAAH O00519 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2892525 0.84 SMN1; SMN2 (0.43) KMT2A
SCHEMBL1137925 0.81 CYP2C9 (0.52) CYP2C9CYP2C19
SCHEMBL1137928 0.81 CYP2C9 (0.52) CYP2C9CYP2C19
SCHEMBL1138279 0.80 CYP19A1 (0.41) KMT2ACYP19A1CYP2C9
SCHEMBL1137471 0.79 VDR (0.43) KMT2ACYP19A1CYP2C9FAAHCYP2C19
SCHEMBL2890377 0.74 CCNC (0.49) CYP2C9PTGDR2CYP2C19
SCHEMBL2890375 0.74 CCNC (0.49) CYP2C9PTGDR2CYP2C19
SCHEMBL4433121 0.73 BRD4 (0.52) KMT2AMEN1TBXAS1
SCHEMBL9022276 0.71 CNR2 (0.47) KMT2AMEN1CYP19A1CYP1A2FAAH
SCHEMBL6801299 0.70 RAB9A (0.49) KMT2ATBXAS1CYP19A1CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
EP-1812388-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics (US) 2007-08-01 EP disclosed
WO-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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 (2 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 KMT2A 3045/4885MEN1 4777/4885TBXAS1 13/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 KMT2A 3045/4885MEN1 4777/4885TBXAS1 13/4885

“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.