SCHEMBL20998631

SCHEMBL20998631

O=S(=O)(NO)c1ccc2cccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NR4A2 P43354 1/20 0.46
GLO1 Q04760 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR7 P34969 4/20 0.43
HTR6 P50406 4/20 0.43
MMP2 P08253 3/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MMP1 P03956 2/20 0.43

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
SCHEMBL11681712 0.84 LOXL2 (0.50) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL4627734 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL28291893 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL25365468 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL27615483 0.80 CA1 (0.46) ALDH1A1KMT2ACASP1CASP7TDP1
SCHEMBL19692951 0.78 NR4A2 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL11679834 0.78 HTT (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL8312967 0.78 LMNA (0.56) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL12831150 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL15480563 0.78 HDAC6 (0.60) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 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-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 ALDH1A1 2738/4885MEN1 4795/4885KMT2A 4748/4885

“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.