SCHEMBL15420669

SCHEMBL15420669

N#Cc1ccc(-c2ccc(O)c(F)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ESR1 P03372 9/20 0.47
ESR2 Q92731 9/20 0.47
AR P10275 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 4/20 0.43
KCNH2 Q12809 1/20 0.43
KDM1A O60341 1/20 0.40
MAOA P21397 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
SCHEMBL23205942 0.82 ALOX5AP (0.45) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL12988126 0.79 CYP11B1 (0.52) CYP11B1CYP11B2ESR1ESR2KDM4E
SCHEMBL15419971 0.79 AR (0.47) CYP11B1CYP11B2ESR1ESR2AR
SCHEMBL2786052 0.79 KIF11 (0.59) CYP11B1CYP11B2ESR1ESR2AR
SCHEMBL9063141 0.79 KIF11 (0.59) CYP11B1CYP11B2ESR1ESR2AR
SCHEMBL15420520 0.78 ALDH1A1 (0.47) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL9021665 0.78 KDM4E (0.61) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL2433081 0.77 MMP3 (0.59) CYP11B1ESR1ESR2KDM4EALDH1A1
SCHEMBL10355365 0.77 KDM4E (0.54) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL12987472 0.76 CYP11B1 (0.50) CYP11B1CYP11B2ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CYP11B1 1565/4885CYP11B2 1213/4885ESR1 206/4885

“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.