SCHEMBL6833247

SCHEMBL6833247

CSc1ccc(F)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAOA P21397 10/20 0.42
MAOB P27338 10/20 0.42
TRPV4 Q9HBA0 2/20 0.39
AR P10275 5/20 0.39
PGR P06401 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3753297 0.84 CYP11B1 (0.58) CYP11B1CYP11B2MAOAMAOBTRPV4
SCHEMBL27274265 0.83 MAOB (0.44) MAOAMAOBTRPV4ARPGR
SCHEMBL12126140 0.81 MAOB (0.57) CYP11B1CYP11B2MAOAMAOBAR
SCHEMBL6828399 0.80 MAOB (0.42) MAOAMAOBTRPV4ARPGR
SCHEMBL27274267 0.79 MAOB (0.49) MAOAMAOBARMAPT
SCHEMBL15973611 0.78 TSHR (0.45) CYP11B1CYP11B2MAOAMAOBAR
SCHEMBL16555431 0.77 AR (0.41) MAOAMAOBTRPV4ARPGR
SCHEMBL6831166 0.76 MAPT (0.40) CYP11B1CYP11B2MAOAMAOBMEN1
SCHEMBL13946937 0.76 MCL1 (0.47) CYP11B1CYP11B2MAOAMAOBMEN1
SCHEMBL15716037 0.76 MAOB (0.46) CYP11B1CYP11B2MAOAMAOBAR

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
US-10457707-B2 Substituted urea depsipeptide analogs as activators of the CLPP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-29 US disclosed
US-20190048040-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase ST JUDE CHILDRENS RES HOSPITAL (US) 2019-02-14 US disclosed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
CN-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 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 (3 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-10457707-B2 Substituted urea depsipeptide analogs as activators of the CLPP endopeptidase CLPP, DNPEP, PEPD CYP11B1 4830/4885CYP11B2 4816/4885MAOA 2427/4885
US-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 CYP11B1 1371/4885CYP11B2 2030/4885MAOA 2405/4885
US-20190048040-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase CLPP, DNPEP, PEPD CYP11B1 4830/4885CYP11B2 4816/4885MAOA 2427/4885

“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.