SCHEMBL558606

SCHEMBL558606

COc1ccc(C2(C#N)CCCCC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
PDE4B Q07343 16/20 0.57
PDE4A P27815 15/20 0.57
PDE4C Q08493 15/20 0.57
PDE4D Q08499 15/20 0.57
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL558312 0.98 MEN1 (0.61) MEN1KMT2ANPC1RAB9APDE4B
SCHEMBL2827366 0.95 PDE4B (0.59) MEN1KMT2ANPC1RAB9APDE4B
SCHEMBL77276 0.92 PDE4B (0.59) MEN1KMT2ANPC1RAB9APDE4B
SCHEMBL29798131 0.86 PDE4A (0.78) PDE4BPDE4APDE4CPDE4D
SCHEMBL7211275 0.86 PDE4A (0.78) PDE4BPDE4APDE4CPDE4D
SCHEMBL21874325 0.86 KMT2A (0.50) MEN1KMT2ANPC1RAB9APDE4B
SCHEMBL29859032 0.86 MEN1 (0.50) MEN1KMT2ANPC1RAB9APDE4B
SCHEMBL21820761 0.86 KMT2A (0.52) MEN1KMT2ANPC1RAB9APDE4B
SCHEMBL30683833 0.84 PDE4A (0.80) PDE4BPDE4APDE4CPDE4D
SCHEMBL23325964 0.84 PDE4B (0.53) MEN1KMT2ANPC1RAB9APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284272-B2 Inhibitors of histone methyltransferase G9a ABBVIE INC. (US) 2016-03-15 US disclosed
US-20150274660-A1 INHIBITORS OF HISTONE METHYLTRANSFERASE G9a ABBVIE INC. 2015-10-01 US disclosed
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-20050148648-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
US-5405866-A Administering with cytostatic drugs to treat drug resistant tumors HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5302727-A For use with antitumor agents HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5223530-A Selective high-affinity ligands for treatment of psychological disorders, side effect reduction SRI, INTERNATIONAL (US) 1993-06-29 US disclosed
EP-0523493-A1 Dithianes F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed
EP-0495084-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-07-22 EP disclosed
WO-1992002481-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-02-20 WO disclosed
US-5086054-A Selective high-affinity ligands to sigma boding sites, administering, amipsychotic, antiarrhythmia, antiischemic agents anticonvulsants, reduced side effects SRI INTERNATIONAL (US) 1992-02-04 US disclosed
US-4843081-A Aryl and heteroaryl substituted cycloalkyl compounds RORER PHARMACEUTICAL CORPORATION (US) 1989-06-27 US disclosed
US-4795757-A Bisarylamines RORER PHARMACEUTICAL CORPORATION (US) 1989-01-03 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 (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-20050148648-A1 Modulators of ATP-binding cassette transporters ABCB11, ABCB1, ABCC5 MEN1 4405/4885KMT2A 4175/4885NPC1 36/4885
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 MEN1 4405/4885KMT2A 4175/4885NPC1 36/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 MEN1 4405/4885KMT2A 4175/4885NPC1 36/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 MEN1 4405/4885KMT2A 4175/4885NPC1 36/4885
US-20150274660-A1 INHIBITORS OF HISTONE METHYLTRANSFERASE G9a EHMT1, EHMT2, EZH2 MEN1 595/4885KMT2A 6/4885NPC1 2696/4885

“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.