SCHEMBL2399544

SCHEMBL2399544

COC(=O)c1ccc(-c2cncn(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
MMP13 P45452 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.44
NPBWR1 P48145 1/20 0.44
P2RX3 P56373 1/20 0.44
LMNA P02545 1/20 0.44
CYP19A1 P11511 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
FAAH O00519 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL12263445 0.77 P2RX3 (0.45) P2RX3NPC1
SCHEMBL23535858 0.77 CYP11B2 (0.58) CYP11B1CYP11B2MMP13NPBWR1LMNA
SCHEMBL12263260 0.77 ALDH1A1 (0.48) CA1CA2HSP90AA1HSP90AB1NPC1
SCHEMBL3873541 0.76 CYP11B2 (0.56) CYP11B1CYP11B2RAB9A
SCHEMBL5437262 0.75 CA1 (0.53) CA1CA2LMNANPC1RAB9A
SCHEMBL27768342 0.74 CYP11B1 (0.59) CYP11B1CYP11B2RAB9A
SCHEMBL2400441 0.73 CYP11B2 (0.56) CYP11B1CYP11B2MMP13NPBWR1LMNA
SCHEMBL14142426 0.73 CYP11B2 (0.56) CYP11B1CYP11B2NPBWR1LMNAHSP90AA1
SCHEMBL5065458 0.73 CYP11B1 (0.42) CYP11B1CYP11B2HSP90AA1HSP90AB1
SCHEMBL5065453 0.73 CYP11B1 (0.42) CYP11B1CYP11B2HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
CN-101304969-A Benzene derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-11-12 CN disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 CYP11B1 406/4885CYP11B2 658/4885MMP13 502/4885

“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.