SCHEMBL563690

SCHEMBL563690

CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 1/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47
CCR6 P51684 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
AGTR1 P30556 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL30184492 0.82 KMT2A (0.64) SMN1; SMN2ALDH1A1KMT2ARAB9AHSP90AA1
SCHEMBL1492528 0.82 KMT2A (0.64) SMN1; SMN2ALDH1A1KMT2ARAB9AHSP90AA1
SCHEMBL3552351 0.80 MAPT (0.40) HSPB1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL564681 0.80 MAPT (0.43) HTTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL177792 0.79 HSPB1 (0.59) HSPB1HTTSMN1; SMN2ALDH1A1RECQL
SCHEMBL564713 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KMT2ARAB9AGFER
SCHEMBL177869 0.78 HTT (0.58) HSPB1HTTSMN1; SMN2ALDH1A1RECQL
SCHEMBL564672 0.76 ALDH1A1 (0.36) HTTALDH1A1KMT2ARAB9AHSP90AA1
SCHEMBL261553 0.76 MEN1 (0.57) HSPB1HTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11478740 0.75 HSPB1 (0.54) HSPB1HTTALDH1A1KMT2ARAB9A

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 HSPB1 3053/4885HTT 3223/4885SMN1; SMN2 4635/4885

“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.