SCHEMBL89647

SCHEMBL89647

COCCCOc1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
UTS2R Q9UKP6 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 2/20 0.37
IDO1 P14902 2/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
SLC6A4 P31645 3/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL17393039 0.92 S1PR4 (0.44) S1PR4KDM4EKMT2AUTS2RAR
SCHEMBL4640186 0.89 KDM4E (0.40) S1PR4KDM4EKMT2AUTS2RLMNA
SCHEMBL6044342 0.86 LMNA (0.46) KDM4EKMT2ALMNANPC1RAB9A
SCHEMBL88794 0.83 L3MBTL1 (0.45) KDM4EKMT2ALMNANPC1RAB9A
SCHEMBL3239988 0.82 PPARG (0.36) UTS2RLMNAARMAPK1HTT
SCHEMBL8237989 0.81 HTT (0.39) KDM4EKMT2AUTS2RLMNAAR
SCHEMBL4641391 0.80 KDM4E (0.42) S1PR4KDM4EKMT2ALMNANPC1
SCHEMBL28950316 0.79 PTGDR2 (0.43) S1PR4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8266091 0.79 CSNK2A1 (0.40) LMNAARMAPK1HTTL3MBTL1
SCHEMBL7950109 0.79 AR (0.43) KDM4EKMT2ALMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
CN-101171230-A Heterocyclic-substituted alkanamides useful as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2008-04-30 CN disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 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 (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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 S1PR4 3368/4885KDM4E 1612/4885KMT2A 2552/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 S1PR4 1474/4885KDM4E 1650/4885KMT2A 3129/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC S1PR4 2309/4885KDM4E 1140/4885KMT2A 2850/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO S1PR4 1812/4885KDM4E 2265/4885KMT2A 3979/4885

“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.