SCHEMBL9867784

SCHEMBL9867784

COc1cccc(-c2nsc(S)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
CLK4 Q9HAZ1 2/20 0.54
DYRK1A Q13627 1/20 0.54
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2B6 P20813 2/20 0.47
AHR P35869 2/20 0.47
NR1I3 Q14994 2/20 0.47
VDR P11473 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL24217120 0.83 CYP19A1 (0.57) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL20320401 0.83 DYRK1A (0.60) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL30423929 0.83 CYP19A1 (0.57) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL14488273 0.81 CYP19A1 (0.56) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL9867568 0.80 ADORA3 (0.54) CLK4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL23042515 0.79 RAB9A (0.50) CYP1A2CYP3A4CYP2C9NR1I3SMN1; SMN2
SCHEMBL9867758 0.78 CYP19A1 (0.52) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL30287350 0.77 CYP19A1 (0.73) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL28406603 0.77 CYP19A1 (0.73) CYP19A1CLK4DYRK1ANR1H2NR1H3
SCHEMBL9867042 0.77 CYP19A1 (0.54) CYP19A1CLK4DYRK1ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12472166-B2 Inhibition of mycobacterial type VII secretion STICHTING VUMC (NL) 2025-11-18 US disclosed
EP-4021898-B1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION Stichting Amsterdam UMC (NL) 2024-05-29 EP disclosed
US-20220280487-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION STICHTING VU (NL) 2022-09-08 US disclosed
EP-4021898-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION Stichting VUmc (NL) 2022-07-06 EP disclosed
WO-2021040519-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION STICHTING VUMC (NL) 2021-03-04 WO disclosed
WO-2021040519-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION STICHTING VUMC (NL) 2021-03-04 WO disclosed
US-4985450-A TREATMENT OF GLAUCOMA AVENTIS PHARMACEUTICALS INC. 1991-01-15 US disclosed
US-4873239-A GLAUCOMA TREATMENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-10-10 US disclosed
EP-0276822-A1 Arylthiadiazolylsulfonamides and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-03 EP disclosed
US-4758578-A Arylthiadiazolylsulfonamides, pharmaceutical compositions and use HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1988-07-19 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 (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-12472166-B2 Inhibition of mycobacterial type VII secretion CFTR, ABCB11, ABCC2 CYP19A1 4478/4885CLK4 1482/4885DYRK1A 3710/4885
US-20220280487-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION CFTR, ABCB11, ABCC2 CYP19A1 4478/4885CLK4 1482/4885DYRK1A 3710/4885

“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.