SCHEMBL1762825

SCHEMBL1762825

CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.36
BRD4 O60885 1/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRPF3 Q9ULD4 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACLY P53396 2/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
AR P10275 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 1/20 0.33

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
Hydrochloric Acid SCHEMBL1156228 0.99 SLC22A12 (0.36) SLC22A12BRD4BRD1BRPF1BRD9
SCHEMBL1580382 0.88 TUBB4A (0.38) KDM4EHPGDL3MBTL1ACLYPTGDR2
Hydrochloric Acid SCHEMBL1157261 0.87 TUBB4A (0.37) KDM4EHPGDL3MBTL1ACLYPTGDR2
SCHEMBL1580474 0.84 LOXL2 (0.42) ACLYARALDH1A1MAPT
SCHEMBL1580383 0.83 LMNA (0.43) KDM4EHPGDALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL1156587 0.83 LOXL2 (0.41) ACLYARALDH1A1MAPT
Hydrochloric Acid SCHEMBL1156771 0.82 LMNA (0.42) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL1580766 0.82 HTR6 (0.43) KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL1580309 0.82 CTSG (0.44) ACLYPGR
SCHEMBL1580310 0.81 HTR6 (0.42) KDM4EPGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 SLC22A12 2353/4885BRD4 4861/4885BRD1 4615/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 SLC22A12 2353/4885BRD4 4861/4885BRD1 4615/4885

“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.