SCHEMBL4019882

SCHEMBL4019882

Oc1ccccc1N1CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.70
HTT P42858 2/20 0.70
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
DRD4 P21917 1/20 0.56
GFER P55789 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51
ALOX12 P18054 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
SCHEMBL11120307 1.00 GAA (0.70) GAAHTTKMT2AMEN1RAB9A
SCHEMBL3043141 0.90 GAA (0.60) GAAHTTKMT2AMEN1RAB9A
SCHEMBL1010647 0.90 GAA (0.60) GAAHTTKMT2AMEN1RAB9A
SCHEMBL1308333 0.89 ADRA2C (0.60) GAAHTTKMT2AMEN1RAB9A
SCHEMBL1008507 0.88 GAA (0.58) GAAHTTKMT2AMEN1RAB9A
SCHEMBL33868 0.84 GAA (0.55) GAAHTTKMT2AMEN1RAB9A
SCHEMBL531748 0.84 ADRB1 (0.62) GAAHTTALDH1A1LMNAHPGD
SCHEMBL31321556 0.84 ADRB1 (0.62) GAAHTTALDH1A1LMNAHPGD
SCHEMBL1035343 0.84 GAA (0.59) GAAHTTKMT2AMEN1RAB9A
SCHEMBL5678065 0.84 GAA (0.53) GAAHTTKMT2AMEN1RAB9A

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
US-10799475-B2 Substituted phenyl aziridine precursor analogs for inhibiting androgen-independent prostate cancer cell growth NORTHWESTERN UNIVERSITY (US) 2020-10-13 US disclosed
US-20180344691-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2018-12-06 US disclosed
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2017-08-03 US disclosed
US-20160089354-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2016-03-31 US disclosed
US-20140045938-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2014-02-13 US disclosed
WO-2009092796-A1 SYNEPHRINE DERIVATIVES FOR THE TREATMENT OF CANCER UNIVERSITEIT GENT (BE) 2009-07-30 WO disclosed
US-20090156672-A1 Substituted Phenyl Aziridine Precursor Analogs as Modulators of Steroid Receptor Activities NORTHWESTERN UNIVERSITY (US) 2009-06-18 US disclosed
EP-1239850-B1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS UNIV GENT (BE) 2006-10-18 EP disclosed
US-7053120-B2 Use of carboxy compounds such as 2(4-acetoxyphenyl)2-chloro-N-methyl-ethylammonium chloride as anti-inflammatory agents GENT UNIVERSITEIT (BE) 2006-05-30 US disclosed
US-20030055030-A1 Use of carboxy compounds such as 2(4-acetoxyphenyl)-2-chloro-N-methyl-ethylammonium chloride as anti-inflammatory agents GENT UNIVERSITEIT (BE) 2003-03-20 US disclosed
EP-1239850-A1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS Vlaams Interuniversitair Instituut voor Biotechnologie vzw. (BE) 2002-09-18 EP disclosed
WO-2001045693-A1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2001-06-28 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 (7 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-20180344691-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 3102/4885HTT 3525/4885KMT2A 1643/4885
US-20160089354-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 2882/4885HTT 3840/4885KMT2A 1525/4885
US-20030055030-A1 Use of carboxy compounds such as 2(4-acetoxyphenyl)-2-chloro-N-methyl-ethylammonium chloride as anti-inflammatory agents CCL5, C5AR2, CCL2 GAA 1738/4885HTT 1644/4885KMT2A 1959/4885
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 3102/4885HTT 3525/4885KMT2A 1643/4885
US-20140045938-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 3102/4885HTT 3525/4885KMT2A 1643/4885
US-20090156672-A1 Substituted Phenyl Aziridine Precursor Analogs as Modulators of Steroid Receptor Activities NR5A1, AR, NR3C1 GAA 2666/4885HTT 3938/4885KMT2A 1906/4885
US-10799475-B2 Substituted phenyl aziridine precursor analogs for inhibiting androgen-independent prostate cancer cell growth NR5A1, AR, CYP17A1 GAA 3102/4885HTT 3525/4885KMT2A 1643/4885

“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.