SCHEMBL2397281

SCHEMBL2397281

CCOC(=O)c1cc(C=O)cn1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.41
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
P2RY12 Q9H244 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL4759808 0.82 TBXAS1 (0.44) RAB9ABAZ2BBAZ2ALMNAALDH1A1
SCHEMBL4759807 0.82 TBXAS1 (0.44) RAB9ABAZ2BBAZ2ALMNAALDH1A1
SCHEMBL3387788 0.81 HDAC8 (0.51) ALDH1A1HDAC8KMT2AKDM4E
SCHEMBL2729849 0.80 RAB9A (0.51) RAB9ABAZ2BBAZ2ALMNAALDH1A1
SCHEMBL12096990 0.77 HDAC8 (0.41) ALDH1A1HDAC8
SCHEMBL14799952 0.77 RAB9A (0.49) RAB9ABAZ2BBAZ2ALMNAALDH1A1
SCHEMBL5121029 0.77 RAB9A (0.49) RAB9ABAZ2BBAZ2ALMNAALDH1A1
SCHEMBL1441399 0.75 HDAC8 (0.47) ALDH1A1HDAC8KMT2AKDM4EAR
SCHEMBL16403997 0.75 RAB9A (0.48) RAB9ABAZ2BBAZ2ALMNAALDH1A1
SCHEMBL1126661 0.75 P2RY12 (0.51) RAB9ALMNAALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713838-A2 METHOD FOR PRODUCING POLYISOBUTENYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2006-10-25 EP claimed
WO-2005073152-A2 METHOD FOR PRODUCING POLYISOBUTENYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2005-08-11 WO claimed
EP-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
EP-2066627-A1 NOVEL MINOR GROOVE BINDERS The University of Strathclyde (GB) 2009-06-10 EP disclosed
WO-2008038018-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2008-04-03 WO disclosed
EP-1360176-B1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-11-02 EP disclosed
EP-1713838-A2 METHOD FOR PRODUCING POLYISOBUTENYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2006-10-25 EP disclosed
WO-2005073152-A2 METHOD FOR PRODUCING POLYISOBUTENYLPHENOLS BASF AKTIENGESELLSCHAFT (DE) 2005-08-11 WO disclosed
US-20040082477-A1 Pyrrolecarboxamides for the use as fungicdes SYNGENTA CROP PROTECTION, INC. 2004-04-29 US disclosed
EP-1360176-A1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES Syngenta Participations AG (CH) 2003-11-12 EP disclosed
WO-2002064562-A1 PYRROLECARBOXAMIDES FOR THE USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-08-22 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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF RAB9A 2181/4885BAZ2B 236/4885BAZ2A 603/4885
US-20040082477-A1 Pyrrolecarboxamides for the use as fungicdes CBR3, HPD, BROX RAB9A 2940/4885BAZ2B 200/4885BAZ2A 316/4885

“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.