SCHEMBL19945968

SCHEMBL19945968

O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1[N+](=O)[O-].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 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
SCHEMBL195393 0.98 GPR35 (0.44) GPR35KMT2AMEN1TSHRCA1
SCHEMBL27464031 0.98 GPR35 (0.44) GPR35KMT2AMEN1TSHRCA1
SCHEMBL26980 0.98 GPR35 (0.44) GPR35KMT2AMEN1TSHRCA1
SCHEMBL27922796 0.96 GPR35 (0.43) GPR35KMT2AMEN1TSHRCA1
SCHEMBL10713774 0.96 GPR35 (0.43) GPR35KMT2AMEN1TSHRCA1
SCHEMBL9389076 0.93 GPR35 (0.41) GPR35KMT2AMEN1TSHRCA1
Alcohol SCHEMBL3785734 0.90 TSHR (0.39) GPR35KMT2AMEN1TSHRCA1
SCHEMBL28111354 0.89 NSD2 (0.43) GPR35KMT2AMEN1TSHRCA1
SCHEMBL29083020 0.85 GPR35 (0.43) GPR35KMT2AMEN1TSHRCA1
SCHEMBL9485087 0.85 CTSB (0.41) GPR35KMT2AMEN1TSHRCA1

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
EP-3293240-B1 AGENT HAVING ANTI-ICE NUCLEATION ACTIVITY THE SCHOOL CORPORATION KANSAI UNIV (JP) 2020-04-08 EP disclosed
US-20180153194-A1 AGENT HAVING ANTI-ICE NUCLEATION ACTIVITY THE SCHOOL CORPORATION KANSAI UNIVERSITY (JP) 2018-06-07 US disclosed
EP-3293240-A1 AGENT HAVING ANTI-ICE NUCLEATION ACTIVITY The School Corporation Kansai University (JP) 2018-03-14 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-20180153194-A1 AGENT HAVING ANTI-ICE NUCLEATION ACTIVITY YBX1, YBX3, TPX2 GPR35 4651/4885KMT2A 4449/4885MEN1 3157/4885

“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.