SCHEMBL395505

SCHEMBL395505

Cc1c(C)c(Cn2ccnc2)c(C)c(C)c1Cn1ccnc1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.96
CYP11B2 P19099 12/20 0.96
CYP19A1 P11511 5/20 0.58
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
TBXAS1 P24557 1/20 0.52
QPCT Q16769 1/20 0.52
CYP4Z1 Q86W10 1/20 0.52
QPCTL Q9NXS2 1/20 0.52
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
TSHR P16473 1/20 0.47

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
SCHEMBL28975968 0.98 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL15722807 0.96 CYP11B1 (0.88) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16257971 0.92 CYP11B1 (0.82) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL10030556 0.92 CYP11B1 (0.82) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL23045676 0.87 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL13105237 0.86 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16672961 0.84 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL5489431 0.83 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16067094 0.81 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11084608 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669275-B1 CAPSULE-TYPE COMPOUND, ANION-REMOVING AGENT, AND ANION REMOVAL METHOD UNIV SHIZUOKA NAT UNIV CORP (JP) 2016-11-16 EP disclosed
US-9139533-B2 Capsule-type compound, anion removing agent, and method for removing anion NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2015-09-22 US disclosed
EP-2067774-B1 PERCHLORIC ACID ION TRAPPING AGENT UNIV SHIZUOKA NAT UNIV CORP (JP) 2014-11-26 EP disclosed
EP-2067774-B1 PERCHLORIC ACID ION TRAPPING AGENT UNIV SHIZUOKA NAT UNIV CORP (JP) 2014-11-26 EP disclosed
EP-2669275-A1 CAPSULE-TYPE COMPOUND, ANION-REMOVING AGENT, AND ANION REMOVAL METHOD National University Corporation Shizuoka University (JP) 2013-12-04 EP disclosed
US-20130299431-A1 Capsule-type Compound, Anion Removing Agent, and Method for Removing Anion NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2013-11-14 US disclosed
US-8101084-B2 Perchlorate ion trapping agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2012-01-24 US disclosed
US-8101084-B2 Perchlorate ion trapping agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2012-01-24 US disclosed
US-8101084-B2 Perchlorate ion trapping agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2012-01-24 US disclosed
US-20100200508-A1 Perchlorate Ion Trapping Agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2010-08-12 US disclosed
US-20100200508-A1 Perchlorate Ion Trapping Agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2010-08-12 US disclosed
US-20100200508-A1 Perchlorate Ion Trapping Agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2010-08-12 US disclosed
EP-2067774-A1 PERCHLORIC ACID ION TRAPPING AGENT National University Corporation Shizuoka University (JP) 2009-06-10 EP disclosed
EP-2067774-A1 PERCHLORIC ACID ION TRAPPING AGENT National University Corporation Shizuoka University (JP) 2009-06-10 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 (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-20130299431-A1 Capsule-type Compound, Anion Removing Agent, and Method for Removing Anion CHRM2, H1-10, H1-2 CYP11B1 2480/4885CYP11B2 2008/4885CYP19A1 2358/4885
US-20100200508-A1 Perchlorate Ion Trapping Agent SLC10A6, SLC9A1, SLC9A5 CYP11B1 1786/4885CYP11B2 1942/4885CYP19A1 2199/4885

“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.