SCHEMBL3464510

SCHEMBL3464510

Cc1ccc2cccc(O[Si](C)(C)C(C)(C)C)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
METAP2 P50579 1/20 0.46
BDKRB2 P30411 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CCR1 P32246 1/20 0.44
RAB9A P51151 1/20 0.44
CCR5 P51681 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL21225851 0.83 MCHR1 (0.45) BDKRB2MCHR1
SCHEMBL7254011 0.80 MCHR1 (0.36) MEN1KMT2ACA12CA1CA9
SCHEMBL763980 0.79 CCR1 (0.47) MEN1KMT2AKDM4ELMNACA12
SCHEMBL9541397 0.79 LMNA (0.49) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL15398746 0.77 MCHR1 (0.53) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL15398749 0.77 MCHR1 (0.53) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL731812 0.76 KMT2A (0.41) MEN1KMT2AKDM4ELMNARAB9A
SCHEMBL731813 0.76 KMT2A (0.41) MEN1KMT2AKDM4ELMNARAB9A
SCHEMBL2349888 0.76 CA1 (0.41) MEN1KMT2AKDM4ELMNACA1
SCHEMBL873587 0.75 MCHR1 (0.65) MEN1KMT2AKDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
EP-1979437-B1 ORGANOMETALLIC COMPLEXES DU PONT (US) 2013-04-10 EP disclosed
US-20100264380-A1 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
EP-1979437-A2 ORGANOMETALLIC COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-15 EP disclosed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
WO-2007087223-A2 ORGANOMETALLIC COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-02 WO disclosed
US-6642254-B2 Administering compounds, e.g., 8-methoxy-2-trifluoromethylquinoline-5-carboxylic acid (3,5-dichloro-1-oxypyridin-4-yl)amide for therapy of disease state that is capable of being modulated by inhibition of phosphodiesterase DARWIN DISCOVERY, LTD. (GB) 2003-11-04 US disclosed
US-20020183358-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-12-05 US disclosed
US-6410559-B2 3,5-DISUBSTITUTED-(OXYPYRIDINE-4-YL)AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITOR TO TREAT INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE DARWIN DISCOVERY, LTD. (GB) 2002-06-25 US disclosed
US-20010025049-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2001-09-27 US disclosed
US-6262070-B1 E.G., 8-METHOXY-2-TRIFLUOROMETHYLQUINOLINE-5-CARBOXYLIC ACID(3,5-DICHLORO-1-OXYPYRIDIN-4-YL)AMIDE; TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAYS DISEASE DARWIN DISCOVERY LTD. (GB) 2001-07-17 US disclosed
EP-1045845-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY Darwin Discovery Limited (GB) 2000-10-25 EP disclosed
WO-2000026208-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2000-05-11 WO disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 US 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-20010025049-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 MEN1 1624/4885KMT2A 4306/4885KDM4E 4615/4885
US-20020183358-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 MEN1 1624/4885KMT2A 4306/4885KDM4E 4615/4885
US-20100264380-A1 Organometallic complexes GSTO1, CYP4F12, CYP4F3 MEN1 3493/4885KMT2A 369/4885KDM4E 719/4885

“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.