SCHEMBL1580171

SCHEMBL1580171

CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cnc(NC)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.35
GAA P10253 1/20 0.33
MAP4K4 O95819 1/20 0.33
HTR6 P50406 3/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ELAVL1 Q15717 1/20 0.32
POLB P06746 1/20 0.32
TGM2 P21980 1/20 0.32

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 SCHEMBL1156765 0.99 PIK3CA (0.38) PIK3CALOXL2GAAMAP4K4HTR6
SCHEMBL1580693 0.90 LOXL2 (0.36) PIK3CALOXL2GAAHTR6LMNA
Hydrochloric Acid SCHEMBL1156812 0.89 LOXL2 (0.35) PIK3CALOXL2GAAHTR6LMNA
SCHEMBL1157268 0.89 POLB (0.44) PIK3CALOXL2GAAHTR6LMNA
SCHEMBL1580947 0.87 KDM4E (0.40) LOXL2HTR6LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1278781 0.86 KDM4E (0.39) LOXL2HTR6LMNAKDM4EALDH1A1
SCHEMBL1580766 0.85 HTR6 (0.43) HTR6KDM4ECNR1ALDH1A1CYP3A4
SCHEMBL1762729 0.85 NAMPT (0.38) LOXL2GAAHTR6LMNAKDM4E
SCHEMBL1580764 0.84 LOXL2 (0.34) PIK3CALOXL2GAAHTR6LMNA
Hydrochloric Acid SCHEMBL1156858 0.84 NAMPT (0.37) LOXL2GAAHTR6LMNAKDM4E

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-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
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 WO 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 PIK3CA 265/4885LOXL2 2327/4885GAA 121/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 PIK3CA 265/4885LOXL2 2327/4885GAA 121/4885

“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.