SCHEMBL2965804

SCHEMBL2965804

NC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[KH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP3A4 P08684 3/20 0.49
POLB P06746 2/20 0.49
NT5E P21589 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.42
CASP1 P29466 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2973727 0.98 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL2967737 0.97 KMT2A (0.58) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
Potassium Ion SCHEMBL2965809 0.97 KMT2A (0.58) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL2967742 0.97 KMT2A (0.58) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL2967741 0.86 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
Potassium Ion SCHEMBL2965805 0.86 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2CYP3A4POLB
SCHEMBL2979886 0.86 ALDH1A1 (0.57) KMT2AALDH1A1SMN1; SMN2CYP3A4NT5E
SCHEMBL2967553 0.86 ALDH1A1 (0.57) KMT2AALDH1A1SMN1; SMN2CYP3A4NT5E
SCHEMBL7999063 0.84 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2CYP3A4NT5E
SCHEMBL2983082 0.84 ALDH1A1 (0.58) KMT2AALDH1A1SMN1; SMN2CYP3A4NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781611-B2 Nitro-sulfobenzamides AVENTIS CROPSCIENCE GMBH (DE) 2010-08-24 US disclosed
EP-1242386-B1 NITRO-SULFOBENZAMIDES BAYER CROPSCIENCE AG (DE) 2009-08-26 EP disclosed
EP-1242386-A1 NITRO-SULFOBENZAMIDES Bayer CropScience GmbH (DE) 2002-09-25 EP disclosed
US-20010020092-A1 Nitro-sulfobenzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2001-09-06 US disclosed
WO-2001042226-A1 NITRO-SULFOBENZAMIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-06-14 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-20010020092-A1 Nitro-sulfobenzamides SULT1A1, SULT2A1, SULT1E1 KMT2A 1005/4885ALDH1A1 605/4885SMN1; SMN2 1308/4885

“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.