SCHEMBL5238474

SCHEMBL5238474

OC(c1ccc(Br)cc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
HRH3 Q9Y5N1 1/20 0.47
IDO1 P14902 2/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.41
CCR5 P51681 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SLC18A3 Q16572 1/20 0.39
HIF1A Q16665 1/20 0.39
CHEK2 O96017 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL2813379 0.90 CCR5 (0.43) DHODHPOLBCCR5SLC18A3CYP1A2
SCHEMBL8036930 0.82 DHODH (0.56) DHODHHRH3SMN1; SMN2RAB9ANPC1
SCHEMBL14335802 0.81 HRH3 (0.47) DHODHHRH3POLBCCR5SLC18A3
SCHEMBL28438873 0.80 DHODH (0.54) DHODHHRH3IDO1POLBSMN1; SMN2
SCHEMBL13232178 0.80 DHODH (0.58) DHODHHRH3IDO1POLBSMN1; SMN2
SCHEMBL11981999 0.80 DHODH (0.54) DHODHHRH3IDO1MEN1KMT2A
SCHEMBL10021103 0.80 DHODH (0.58) DHODHHRH3IDO1SMN1; SMN2RAB9A
SCHEMBL16995185 0.79 IDO1 (0.53) DHODHHRH3IDO1LMNAMEN1
SCHEMBL477415 0.79 IDO1 (0.53) DHODHHRH3IDO1LMNAMEN1
SCHEMBL1430742 0.79 IDO1 (0.53) DHODHHRH3IDO1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721008-B1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES AS P53 (MDM2 OR MDM4) INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
EP-2721008-B1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES AS P53 (MDM2 OR MDM4) INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8859535-B2 Hydroxy substituted isoquinolinone derivatives NOVARTIS AG (CH) 2014-10-14 US disclosed
US-8859535-B2 Hydroxy substituted isoquinolinone derivatives NOVARTIS AG (CH) 2014-10-14 US disclosed
US-8859535-B2 Hydroxy substituted isoquinolinone derivatives NOVARTIS AG (CH) 2014-10-14 US disclosed
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-05-15 US disclosed
EP-2721008-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES Novartis AG (CH) 2014-04-23 EP disclosed
WO-2012175520-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2012-12-27 WO disclosed
EP-1819670-B1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN INC (US) 2012-08-08 EP disclosed
CN-101107225-A 12-aryl prostaglandin analogs ALLERGAN INC (US) 2008-01-16 CN disclosed
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
EP-1819670-A1 12-ARYL PROSTAGLANDIN ANALOGS Allergan, Inc. (US) 2007-08-22 EP disclosed
US-7091231-B2 12-Aryl prostaglandin analogs ALLERGAN, INC. (US) 2006-08-15 US disclosed
US-20060148894-A1 Z)-7-{(1R,2S,3R)-2-[4-(Cyclohexyl-hydroxy-methyl)-phenyl]-3-hydroxy-5-oxo cyclopentyl}-hept-5-enoic acid methyl ester; treating vision defects ALLERGAN, INC. (US) 2006-07-06 US disclosed
WO-2006063179-A1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN, INC. (US) 2006-06-15 WO disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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 (3 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-20060148894-A1 Z)-7-{(1R,2S,3R)-2-[4-(Cyclohexyl-hydroxy-methyl)-phenyl]-3-hydroxy-5-oxo cyclopentyl}-hept-5-enoic acid methyl ester; treating vision defects ALOX5, PTGER2, PTGER1 DHODH 1439/4885HRH3 612/4885IDO1 1921/4885
US-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK DHODH 3958/4885HRH3 1735/4885IDO1 3893/4885
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES MDM4, MDM2, TP53 DHODH 108/4885HRH3 1730/4885IDO1 777/4885

“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.