SCHEMBL5378483

SCHEMBL5378483

NS(=O)(=O)N(c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL6048773 0.75 ALDH1A1 (0.50) KMT2AMEN1HSD17B10TDP1ALDH1A1
SCHEMBL30704256 0.75 ALDH1A1 (0.50) KMT2AMEN1HSD17B10TDP1ALDH1A1
Sulfamide SCHEMBL28235502 0.75 KMT2A (0.61) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL205647 0.74 MEN1 (0.41) KMT2AMEN1CA1CA2CA12
SCHEMBL304541 0.74 HSD17B10 (0.48) KMT2AMEN1HSD17B10TDP1ALDH1A1
SCHEMBL11565380 0.73 HSD17B10 (0.52) KMT2AMEN1HSD17B10TDP1ALDH1A1
SCHEMBL29048059 0.72 HSD17B10 (0.47) KMT2AMEN1HSD17B10TDP1ALDH1A1
SCHEMBL15689351 0.71 KMT2A (0.48) KMT2AMEN1CA1CA2MMP1
SCHEMBL10825687 0.71 HSD17B10 (0.45) KMT2AMEN1HSD17B10TDP1ALDH1A1
SCHEMBL8069994 0.71 ALDH1A1 (0.46) KMT2AMEN1HSD17B10TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211696-B2 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin THE OHIO STATE UNIVERSITY (US) 2007-05-01 — — US disclosed
US-20050227982-A1 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin WERBOVETZ KARL 2005-10-13 — — US disclosed
EP-1560574-A2 ANTILEISHMANIAL DINITROANILINE SULFONAMIDES WITH ACTIVITY AGAINST PARASITE TUBULIN THE OHIO STATE UNIVERSITY (US) 2005-08-10 — — EP disclosed
WO-2003090678-A2 ANTILEISHMANIAL DINITROANILINE SULFONAMIDES WITH ACTIVITY AGAINST PARASITE TUBULIN OHIO STATE UNIVERSITY (US) 2003-11-06 — — 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-20050227982-A1 Antileishmanial dinitroaniline sulfanomides with activity against parasite tubulin TUBB, TUBB2A, TUBA1A KMT2A 1439/4885MEN1 2883/4885F2 4809/4885

“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.

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