SCHEMBL6718485

SCHEMBL6718485

CC(C)(C)CCNC([O])=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
MLYCD O95822 2/20 0.43
NAMPT P43490 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CCKBR P32239 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL13589877 0.81 SIGMAR1 (0.46) SIGMAR1MLYCDNAMPTCCKBRHSD17B13
SCHEMBL19543467 0.81 SIGMAR1 (0.46) SIGMAR1MLYCDKDM4C
SCHEMBL426372 0.79 KDM4E (0.52) SIGMAR1MLYCD
SCHEMBL5489345 0.79 SIGMAR1 (0.44) SIGMAR1MLYCDNAMPTCCKBRKDM4C
SCHEMBL8962245 0.77 POLB (0.44) SIGMAR1MLYCDMEN1KMT2A
SCHEMBL2891175 0.77 SIGMAR1 (0.43) SIGMAR1MLYCDNAMPTCCKBRHSD17B13
SCHEMBL22699773 0.77 MLYCD (0.50) SIGMAR1MLYCDNAMPTCCKBRHSD17B13
SCHEMBL6562473 0.77 SIGMAR1 (0.43) SIGMAR1MLYCDNAMPTTDP1CCKBR
SCHEMBL426371 0.77 SIGMAR1 (0.43) SIGMAR1MLYCDNAMPTCCKBRHSD17B13
SCHEMBL11988220 0.77 TDP1 (0.58) SIGMAR1TDP1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
CN-1364161-A N-substituted perhydrodiazines BASF AG (DE) 2002-08-14 CN disclosed
CN-1362950-A Substituted ureas BASF AG (DE) 2002-08-07 CN disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
US-20010031865-A1 Substituted 3-phenyluracils KLINTZ RALF (DE) 2001-10-18 US disclosed
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 SIGMAR1 1608/4885MLYCD 1708/4885NAMPT 2891/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 SIGMAR1 741/4885MLYCD 954/4885NAMPT 4188/4885

“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.