SCHEMBL309246

SCHEMBL309246

CS(=O)(=O)c1cc(I)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
PTGS2 P35354 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
CA2 P00918 4/20 0.40
CA5A P35218 3/20 0.40
POLB P06746 1/20 0.39
CYP19A1 P11511 1/20 0.39
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 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
SCHEMBL4086848 0.86 KMT2A (0.48) HTTKMT2AMEN1LMNAPTGS2
SCHEMBL1171984 0.86 CYP19A1 (0.52) HTTKMT2AMEN1LMNAPTGS2
SCHEMBL14650150 0.79 TSHR (0.63) HTTKMT2AMEN1LMNAPTGS2
SCHEMBL2880510 0.78 ACP1 (0.43) HTTKMT2AMEN1LMNAPTGS2
SCHEMBL2437802 0.78 CYTH2 (0.46) HTTKMT2AMEN1LMNAPTGS2
SCHEMBL29859047 0.78 ALDH1A1 (0.44) HTTKMT2AMEN1LMNAPTGS2
SCHEMBL1172577 0.78 PTGS2 (0.42) HTTKMT2APTGS2GAATSHR
SCHEMBL2311386 0.78 POLB (0.47) HTTKMT2AMEN1PTGS2GAA
SCHEMBL309438 0.77 CYP19A1 (0.62) HTTKMT2AMEN1LMNATSHR
SCHEMBL222935 0.77 LMNA (0.56) HTTKMT2AMEN1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107513020-B A kind of synthetic method of m-iodonitrobenzene compound NANCHANG UNIVERSITY (CN) 2019-10-29 CN disclosed
CN-107513020-A A kind of synthetic method of m-iodonitrobenzene compound 南昌大学 2017-12-26 CN disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
CN-101970401-A Leukotriene b4 inhibitors HOFFMANN LA ROCHE 2011-02-09 CN disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S HTT 4597/4885KMT2A 4432/4885MEN1 4324/4885

“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.