SCHEMBL1461879

SCHEMBL1461879

NCCC(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 2/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TERT O14746 2/20 0.59
EPHX1 P07099 1/20 0.59
EPHX2 P34913 1/20 0.59
GAA P10253 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
HSP90AA1 P07900 1/20 0.55
NPY1R P25929 1/20 0.55
HTT P42858 1/20 0.55
NPY2R P49146 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL22529434 0.90 L3MBTL1 (0.67) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL10323936 0.87 NPC1 (0.62) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL15107476 0.86 L3MBTL1 (0.74) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL1878130 0.84 CYP3A4 (0.67) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL1520594 0.84 CYP3A4 (0.67) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL10323935 0.84 TERT (0.54) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL23857903 0.83 CYP3A4 (0.65) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL7820017 0.83 CYP3A4 (0.65) CYP3A4L3MBTL1MAPTNPSR1ALDH1A1
SCHEMBL3674141 0.83 CYP3A4 (0.75) CYP3A4L3MBTL1ALDH1A1EPHX1EPHX2
SCHEMBL5675525 0.81 MEN1 (0.52) CYP3A4L3MBTL1MAPTALDH1A1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7601748-B2 Anti-androgenic N-[ omega -[3-[4-cyano-3-(trifluoromethyl)-phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]alkyl]-substituted pyrrolidines; treatment of prostate cancer, benign prostate hyperplasia, androgenetic alopecia, hirsutism or acne BAYER SCHERING PHARMA AG (DE) 2009-10-13 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
EP-1622894-B1 ANTITUMORAL ANTIANDROGENIC PYRROLIDINES BAYER SCHERING PHARMA AG (DE) 2009-01-14 EP disclosed
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed
US-20070021481-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
US-7138421-B2 Anti-androgenic pyrrolidines with tumor-inhibiting action SCHRING AKTIENGESELLSCHAFT (DE) 2006-11-21 US disclosed
EP-1622894-A1 ANTITUMORAL ANTIADROGENIC PYRROLIDINES Schering Aktiengesellschaft (DE) 2006-02-08 EP disclosed
US-20050159468-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
US-6861432-B2 Piperazine derivatives that destabilize androgen receptors SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
WO-2004099188-A1 ANTITUMORAL ANTIADROGENIC PYRROLIDINES SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed
US-20040009969-A1 Piperazine derivatives that destabilize androgen receptors SCHERING AG (DE) 2004-01-15 US disclosed
WO-2003043983-A1 PIPERAZINE DERIVATIVES DESTABILISING ANDROGEN RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-30 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 (5 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-20070021481-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action NR5A1, AR, CYP17A1 CYP3A4 978/4885L3MBTL1 4878/4885MAPT 4842/4885
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL CYP3A4 172/4885L3MBTL1 3199/4885MAPT 3235/4885
US-20050159468-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action NR5A1, AR, CYP17A1 CYP3A4 978/4885L3MBTL1 4878/4885MAPT 4842/4885
US-20040009969-A1 Piperazine derivatives that destabilize androgen receptors AR, FSHR, GNRHR CYP3A4 1870/4885L3MBTL1 4567/4885MAPT 4808/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 CYP3A4 316/4885L3MBTL1 4752/4885MAPT 2987/4885

“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.