SCHEMBL2818508

SCHEMBL2818508

O=C1CCCc2c(F)cc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
PRKCI P41743 1/20 0.37
BRD4 O60885 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP1 P09874 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B1 P14061 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 1/20 0.33
HPD P32754 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ABCC9 O60706 2/20 0.32

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
SCHEMBL4816505 0.89 SRD5A1 (0.36) ALDH1A1MAPK1MAOAMAOBKDM4E
SCHEMBL29776117 0.89 SRD5A1 (0.36) ALDH1A1MAPK1MAOAMAOBKDM4E
SCHEMBL8459403 0.81 MAOA (0.44) MAPK1LMNAMAOAMAOBPRKCI
SCHEMBL30070487 0.81 MAOA (0.44) MAPK1LMNAMAOAMAOBPRKCI
SCHEMBL769083 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTLMNAMAOA
SCHEMBL31385136 0.79 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTLMNAMAOA
SCHEMBL3205385 0.78 MAOA (0.44) ALDH1A1MAPK1MAPTLMNAMAOA
SCHEMBL30917672 0.78 MAOA (0.41) ALDH1A1MAPK1MAPTLMNAMAOA
SCHEMBL769176 0.78 MEN1 (0.42) ALDH1A1MAPK1MAPTLMNAMAOA
SCHEMBL3267183 0.78 BRD4 (0.47) ALDH1A1MAPTLMNABRD4KDM4E

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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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 (2 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 ALDH1A1 381/4885MAPK1 167/4885MAPT 4836/4885
US-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 ALDH1A1 289/4885MAPK1 977/4885MAPT 3536/4885

“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.