SCHEMBL3613836

SCHEMBL3613836

C[C@@H](Oc1cc(-n2cnc3ccccc32)sc1C(=O)O)c1cccc(OCCN2CCOCC2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.56
CYP3A4 P08684 5/20 0.56
CYP2C9 P11712 4/20 0.48
PLK3 Q9H4B4 12/20 0.47
PIK3CD O00329 2/20 0.47
PDGFRB P09619 2/20 0.47
PIM1 P11309 2/20 0.47
NEK2 P51955 2/20 0.47
PIK3C2B O00750 1/20 0.47
RIOK3 O14730 1/20 0.47
DAPK3 O43293 1/20 0.47
PIP5K1C O60331 1/20 0.47
RPS6KA4 O75676 1/20 0.47
STK10 O94804 1/20 0.47
PRKD3 O94806 1/20 0.47
KIT P10721 1/20 0.47
CSNK2A2 P19784 1/20 0.47
GRK4 P32298 1/20 0.47
TIE1 P35590 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL3248938 0.94 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3PIK3CD
SCHEMBL13440237 0.94 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3PIK3CD
SCHEMBL13440238 0.93 PLK1 (0.55) PLK1CYP3A4CYP2C9PLK3PIK3CD
SCHEMBL3611601 0.93 PLK1 (0.56) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL3259293 0.93 PLK1 (0.55) PLK1CYP3A4CYP2C9PLK3PIK3CD
SCHEMBL3611414 0.93 PLK1 (0.54) PLK1CYP3A4CYP2C9PLK3PIK3CD
SCHEMBL3611375 0.91 PLK1 (0.51) PLK1CYP3A4CYP2C9PLK3PIK3CD
SCHEMBL3610325 0.88 PLK1 (0.66) PLK1CYP3A4CYP2C9PLK3
SCHEMBL13440272 0.87 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL3254614 0.87 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100010235-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2010-01-14 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7569734-B2 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY (US) 2009-08-04 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-7495097-B2 Rhodium quinonoid catalysts BROWN UNIVERSITY (US) 2009-02-24 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20070117981-A1 Rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-24 US disclosed
EP-0749276-A1 USE OF EDIBLE FILM TO PROLONG CHEWING GUM SHELF LIFE WM. WRIGLEY JR. COMPANY (US) 1996-12-27 EP disclosed
EP-0749276-A4 USE OF EDIBLE FILM TO PROLONG CHEWING GUM SHELF LIFE WRIGLEY W M JUN CO (US) 1995-03-06 EP disclosed
US-5286502-A Use of edible film to prolong chewing gum shelf life WM. WRIGLEY JR. COMPANY (US) 1994-02-15 US disclosed
WO-1993020708-A1 USE OF EDIBLE FILM TO PROLONG CHEWING GUM SHELF LIFE WM. WRIGLEY JR. COMPANY (US) 1993-10-28 WO disclosed
US-4618698-A BENZOLDEHYDE, ACETIC ACID ESTERS, ALCOHOLATES; HYDROLYZE TO ACID BAYER AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
US-4218468-A Ketone insecticides MOBIL OIL CORPORATION (US) 1980-08-19 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 (6 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-20070117981-A1 Rhodium quinonoid catalysts NQO2, NDUFV2, QARS1 PLK1 2641/4885CYP3A4 407/4885CYP2C9 1254/4885
US-20100010235-A1 Method of using rhodium quinonoid catalysts NQO2, NQO1, RECQL PLK1 1405/4885CYP3A4 493/4885CYP2C9 392/4885
US-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885CYP3A4 4/4885CYP2C9 7/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885CYP3A4 4/4885CYP2C9 7/4885
US-20070123715-A1 Method of using rhodium quinonoid catalysts NQO2, NQO1, RECQL PLK1 1405/4885CYP3A4 493/4885CYP2C9 392/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885CYP3A4 3/4885CYP2C9 7/4885

“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.