SCHEMBL7223364

SCHEMBL7223364

Cc1cc(NC(=O)CC(=O)Nc2cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c2)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 3/20 0.38
ACP1 P24666 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7230766 0.93 POLB (0.42) POLBAKR1B1ALDH1A1GAAMEN1
SCHEMBL7225323 0.90 HDAC3 (0.42) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL7228473 0.90 MAPT (0.40) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL7223994 0.90 POLB (0.36) POLBAKR1B1ALDH1A1GAAACP1
SCHEMBL7222688 0.89 HDAC3 (0.44) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL7225299 0.88 ALDH1A1 (0.43) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL8958259 0.87 RAB9A (0.34) POLBAKR1B1ALDH1A1GAAACP1
SCHEMBL8957820 0.86 THRA (0.38) AKR1B1GAAMEN1KMT2ANPC1
SCHEMBL9362660 0.86 AKR1B1 (0.38) POLBAKR1B1ALDH1A1GAAACP1
SCHEMBL8467038 0.85 ALDH1A1 (0.52) POLBAKR1B1ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US claimed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US claimed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP claimed
EP-0946503-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GmbH (DE) 1999-10-06 EP claimed
WO-1998028265-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 1998-07-02 WO claimed
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US disclosed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US disclosed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP disclosed
EP-0946503-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GmbH (DE) 1999-10-06 EP disclosed
WO-1998028265-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 1998-07-02 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-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors AKR1B1, ALDOA, AKR1C1 POLB 1707/4885AKR1B1 1/4885ALDH1A1 48/4885

“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.