SCHEMBL4694901

SCHEMBL4694901

CCOc1ccc(C)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.57
XDH P47989 2/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.41

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
SCHEMBL1776690 0.89 AR (0.57) ARXDHMAPTALDH1A1L3MBTL1
SCHEMBL12180531 0.86 ALDH1A1 (0.51) ARXDHMAPTALDH1A1HPGD
SCHEMBL14228267 0.84 ALDH1A1 (0.57) ARXDHALDH1A1HPGD
SCHEMBL12433115 0.82 ALDH1A1 (0.66) ARMAPTALDH1A1HPGD
SCHEMBL16958264 0.81 MAPT (0.44) ARMAPTALDH1A1L3MBTL1HPGD
SCHEMBL14026553 0.81 NPC1 (0.50) MAPTALDH1A1L3MBTL1HPGDPOLB
SCHEMBL13182575 0.81 XDH (0.53) XDHSLC22A12
SCHEMBL17708372 0.81 ALDH1A1 (0.47) ARXDHALDH1A1HPGD
SCHEMBL15337643 0.81 AR (0.47) ARMAPTALDH1A1L3MBTL1HPGD
SCHEMBL392560 0.80 MAOB (0.47) ARXDHALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 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 (2 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-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP AR 1595/4885XDH 4679/4885MAPT 4106/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 AR 539/4885XDH 477/4885MAPT 2950/4885

“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.