SCHEMBL641425

SCHEMBL641425

CCOC(=O)CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
HPGD P15428 2/20 0.59
NPC1 O15118 1/20 0.59
HSP90AA1 P07900 1/20 0.59
PKM P14618 1/20 0.59
CCR6 P51684 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 4/20 0.52
DDX3X O00571 1/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 2/20 0.51
LMNA P02545 1/20 0.51
GLO1 Q04760 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3288477 0.87 MEN1 (0.65) MEN1KMT2AHPGDHSP90AA1NPSR1
Hydrochloric Acid SCHEMBL8172216 0.86 MEN1 (0.64) MEN1KMT2AHPGDHSP90AA1NPSR1
SCHEMBL7382282 0.85 MEN1 (0.59) MEN1KMT2AHPGDNPC1HSP90AA1
SCHEMBL11355645 0.84 POLB (0.55) NPC1HTTSMN1; SMN2MAPTPOLB
SCHEMBL6160833 0.83 RAB9A (0.64) MEN1KMT2ANPC1SMN1; SMN2MAPT
Ethane SCHEMBL7845714 0.82 MAPT (0.57) MEN1KMT2APKMHTTSMN1; SMN2
SCHEMBL10573661 0.81 MEN1 (0.69) MEN1KMT2AHPGDNPC1HSP90AA1
SCHEMBL7529513 0.81 MEN1 (0.52) MEN1KMT2AHPGDNPC1HSP90AA1
SCHEMBL11816127 0.81 MEN1 (0.62) MEN1KMT2AHPGDNPC1HSP90AA1
SCHEMBL7534057 0.80 MEN1 (0.51) MEN1KMT2AHPGDNPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed
CN-1202096-C 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2005-05-18 CN disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
CN-1444572-A 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-24 CN disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 MEN1 2730/4885KMT2A 1761/4885HPGD 1279/4885
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 MEN1 4869/4885KMT2A 1692/4885HPGD 109/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 MEN1 4797/4885KMT2A 1810/4885HPGD 175/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 MEN1 4862/4885KMT2A 1856/4885HPGD 90/4885

“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.