SCHEMBL6140218

SCHEMBL6140218

Nc1ccc(N2C(=O)CCC2=O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 2/20 0.46
ATAD2 Q6PL18 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
AR P10275 5/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SRC P12931 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6140202 0.94 GAA (0.44) GAAPOLBTSHRGLAKMT2A
SCHEMBL5489288 0.82 GAA (0.46) GAAPOLBTSHRGLAKMT2A
SCHEMBL14453576 0.80 TP53 (0.49) GAATSHRKMT2ATP53HPGD
SCHEMBL78325 0.80 HSD17B10 (0.44) GAAPOLBTSHRGLAKMT2A
SCHEMBL77167 0.78 GAA (0.42) GAAPOLBTSHRGLAKMT2A
SCHEMBL5653277 0.77 KMT2A (0.50) POLBKMT2AATAD2TP53MAPT
SCHEMBL6140556 0.77 KMT2A (0.68) GAAPOLBTSHRKMT2AATAD2
SCHEMBL6140611 0.75 POLB (0.56) GAAPOLBKMT2AMAPTAR
SCHEMBL6140215 0.74 CYP3A4 (0.60) GAAPOLBTSHRKMT2AATAD2
SCHEMBL6140550 0.74 TP53 (0.68) GAAPOLBKMT2AATAD2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid MERCK PATENT GMBH (DE) 2005-08-18 US disclosed
EP-1506173-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GmbH (DE) 2005-02-16 EP disclosed
WO-2003097600-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GMBH (DE) 2003-11-27 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS GAA 1401/4885POLB 919/4885TSHR 1432/4885
US-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid PPIP5K2, ITPA, IPMK GAA 1682/4885POLB 1147/4885TSHR 3814/4885

“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.