SCHEMBL2400441

SCHEMBL2400441

COc1ccc(Cn2cncc(Br)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.56
CYP11B1 P15538 4/20 0.56
GABRA5 P31644 1/20 0.50
IDO1 P14902 1/20 0.49
CMA1 P23946 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
NPBWR1 P48145 3/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MMP13 P45452 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL23535858 0.84 CYP11B2 (0.58) CYP11B2CYP11B1GABRA5IDO1CMA1
SCHEMBL3911396 0.84 TP53 (0.53) CYP11B2CYP11B1IDO1MAPTTP53
SCHEMBL14142426 0.83 CYP11B2 (0.56) CYP11B2CYP11B1GABRA5IDO1CMA1
SCHEMBL3111412 0.82 CYP11B1 (0.51) CYP11B2CYP11B1MAPTTP53LMNA
SCHEMBL15507125 0.82 CYP11B1 (0.61) CYP11B2CYP11B1GABRA5IDO1CMA1
SCHEMBL28017590 0.81 CYP11B2 (0.51) CYP11B2CYP11B1GABRA5IDO1CMA1
SCHEMBL3914923 0.81 CYP11B1 (0.54) CYP11B2CYP11B1MAPTLMNAKDM4E
SCHEMBL22004454 0.81 CYP11B2 (0.53) CYP11B2CYP11B1GABRA5IDO1CMA1
SCHEMBL3912721 0.80 CYP11B1 (0.54) CYP11B2CYP11B1IDO1LMNAKDM4E
SCHEMBL3913086 0.80 ABCC8 (0.49) CYP11B2CYP11B1GABRA5

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
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO 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-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
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 CYP11B2 658/4885CYP11B1 406/4885GABRA5 1089/4885

“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.