SCHEMBL1429699

SCHEMBL1429699

O=C(CCCl)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 3/20 0.65
HTT P42858 3/20 0.65
LMNA P02545 3/20 0.65
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 4/20 0.60
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSP90AA1 P07900 1/20 0.55
TGM2 P21980 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL10922273 0.91 MEN1 (0.80) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4746770 0.90 MEN1 (0.63) MEN1KMT2AMAPTHTTLMNA
SCHEMBL16322249 0.89 MEN1 (0.61) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4378184 0.87 KMT2A (0.83) MEN1KMT2AMAPTHTTLMNA
SCHEMBL853676 0.86 MEN1 (0.65) MEN1KMT2AMAPTHTTLMNA
SCHEMBL7700654 0.86 MEN1 (0.69) MEN1KMT2AMAPTHTTLMNA
SCHEMBL18660186 0.85 MEN1 (0.68) MEN1KMT2AMAPTHTTLMNA
SCHEMBL15480439 0.85 MEN1 (0.68) MEN1KMT2AMAPTHTTLMNA
SCHEMBL9018657 0.84 MEN1 (0.71) MEN1KMT2AMAPTHTTLMNA
SCHEMBL3262054 0.83 MEN1 (0.63) MEN1KMT2AMAPTHTTLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
CN-102533185-A Waterborne acrylate adhesive UNIV ZHEJIANG TECHNOLOGY 2012-07-04 CN disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008062235-A1 THERAPEUTIC G-QUADRUPLEX LIGANDS SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2008-05-29 WO disclosed
WO-2008062235-A1 THERAPEUTIC G-QUADRUPLEX LIGANDS SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2008-05-29 WO disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-4394156-A Novel N-phenyl-substituted N-heterocyclic compounds, their preparation and use in agents for regulating plant growth CIBA-GEIGY CORPORATION (US) 1983-07-19 US disclosed
US-4294606-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
US-4208202-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1980-06-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 MEN1 827/4885KMT2A 1721/4885MAPT 1103/4885
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG MEN1 3722/4885KMT2A 257/4885MAPT 3624/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MEN1 4760/4885KMT2A 1386/4885MAPT 3484/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MEN1 4190/4885KMT2A 1097/4885MAPT 3185/4885

“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.