SCHEMBL5406989

SCHEMBL5406989

O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
HSPB1 P04792 2/20 0.58
FAAH O00519 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PDE7A Q13946 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LGALS8 O00214 1/20 0.51
LGALS3 P17931 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50
HTT P42858 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSP90AA1 P07900 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL11001115 0.86 MEN1 (0.76) FAAHMEN1KMT2ANPC1MAPT
SCHEMBL11782945 0.85 MEN1 (0.55) HSPB1FAAHALDH1A1MEN1KMT2A
SCHEMBL21835328 0.85 HSPB1 (0.62) HSD17B10HSPB1FAAHALDH1A1MEN1
SCHEMBL1982719 0.85 HSPB1 (0.62) HSD17B10HSPB1FAAHALDH1A1MEN1
SCHEMBL11785049 0.85 HSPB1 (0.53) HSD17B10HSPB1FAAHALDH1A1MEN1
SCHEMBL31287761 0.85 HSPB1 (0.53) HSD17B10HSPB1FAAHALDH1A1MEN1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.82 HSPB1 (0.79) HSD17B10HSPB1ALDH1A1MEN1KMT2A
SCHEMBL11689190 0.82 HSPB1 (0.79) HSD17B10HSPB1ALDH1A1MEN1KMT2A
SCHEMBL9183872 0.82 HSPB1 (0.79) HSD17B10HSPB1ALDH1A1MEN1KMT2A
SCHEMBL2011179 0.82 HSPB1 (0.79) HSD17B10HSPB1ALDH1A1MEN1KMT2A

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
CN-118852135-A N-acyl sulfonamide compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-10-29 CN disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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 (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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 HSD17B10 2716/4885HSPB1 1256/4885FAAH 938/4885

“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.