SCHEMBL564681

SCHEMBL564681

Cc1cc(Oc2ccc(S(C)(=O)=O)nc2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL564672 0.83 ALDH1A1 (0.36) MAPTALDH1A1LMNAKMT2ARAB9A
SCHEMBL563690 0.80 HSPB1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1039005 0.79 CYP19A1 (0.43) MAPTMEN1KMT2APOLBNPC1
SCHEMBL564466 0.79 PIK3CD (0.38) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2645604 0.78 MAPT (0.41) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL30970189 0.77 MAPT (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL564333 0.77 GCK (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29851417 0.75 MAPT (0.64) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2537366 0.75 MAPT (0.64) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2538774 0.74 TSHR (0.52) MAPTALDH1A1LMNAMEN1KMT2A

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
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 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 (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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 MAPT 4051/4885ALDH1A1 351/4885LMNA 4385/4885

“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.