SCHEMBL3958348

SCHEMBL3958348

O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 3/20 0.65
MAPK1 P28482 3/20 0.64
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
SIGMAR1 Q99720 3/20 0.58
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
THRB P10828 1/20 0.57
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL27480624 0.89 KMT2A (0.62) KMT2AMEN1MAPK1POLBHTT
SCHEMBL13800056 0.86 KMT2A (0.68) KMT2AMEN1MAPK1ALDH1A1THRB
SCHEMBL15521688 0.85 KMT2A (0.67) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL2821240 0.82 KMT2A (0.88) KMT2AMEN1ALDH1A1SMN1; SMN2THRB
SCHEMBL30737179 0.82 KMT2A (0.88) KMT2AMEN1ALDH1A1SMN1; SMN2THRB
SCHEMBL4733033 0.81 MEN1 (0.68) KMT2AMEN1HTTALDH1A1THRB
SCHEMBL3961060 0.81 HTT (0.64) KMT2AMEN1HTTCYP3A4CYP2D6
SCHEMBL15334448 0.80 KMT2A (1.00) KMT2AMEN1HTTRECQLALDH1A1
SCHEMBL34474241 0.80 KMT2A (0.94) KMT2AMEN1HTTRECQLALDH1A1
SCHEMBL12481279 0.80 KMT2A (0.94) KMT2AMEN1HTTRECQLALDH1A1

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
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS KMT2A 2685/4885MEN1 596/4885MAPK1 2285/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 KMT2A 2655/4885MEN1 790/4885MAPK1 1730/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS KMT2A 2610/4885MEN1 984/4885MAPK1 1679/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 KMT2A 2655/4885MEN1 790/4885MAPK1 1730/4885

“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.