SCHEMBL13062038

SCHEMBL13062038

O=C(O)c1cc(Cl)c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.47
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP6 P55212 1/20 0.41
VCAM1 P19320 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.38
PLAU P00749 1/20 0.38
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL13011352 0.84 TPMT (0.52) TPMTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16098766 0.83 TSHR (0.40) ALDH1A1VCAM1LMNATSHRPOLB
SCHEMBL5123106 0.79 TDP1 (0.39) TPMTMEN1KMT2AALDH1A1LMNA
SCHEMBL1190543 0.77 TPMT (0.70) TPMTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2048625 0.76 ALDH1A1 (0.47) KMT2AALDH1A1TSHRTDP1CA1
SCHEMBL6815559 0.75 APEX1 (0.46) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2050119 0.75 TDP1 (0.39) ALDH1A1VCAM1TSHRTDP1
SCHEMBL30829746 0.74 EPAS1 (0.42) ALDH1A1VCAM1LMNATSHRPOLB
SCHEMBL15414956 0.74 EPAS1 (0.42) ALDH1A1VCAM1LMNATSHRPOLB
SCHEMBL14879865 0.73 MAPT (0.50) TPMTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 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 (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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E TPMT 994/4885MEN1 4310/4885KMT2A 1785/4885

“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.