SCHEMBL1133872

SCHEMBL1133872

C#CCn1nc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRN P28799 9/20 0.59
SORT1 Q99523 9/20 0.59
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.52
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
GAA P10253 2/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL2311794 0.81 GRN (0.66) GRNSORT1KDM4ENPC1CNR1
SCHEMBL2933232 0.77 GRN (0.61) GRNSORT1KDM4ENPC1CNR1
SCHEMBL13056666 0.76 GRN (0.64) GRNSORT1KDM4ENPC1CNR1
SCHEMBL4310512 0.76 GRN (0.59) GRNSORT1KDM4ENPC1CNR1
SCHEMBL574145 0.76 GRN (0.64) GRNSORT1KDM4ENPC1CNR1
SCHEMBL19128583 0.76 GRN (0.59) GRNSORT1KDM4ENPC1CNR1
SCHEMBL12847484 0.76 GRN (0.35) GRNSORT1KDM4ENPC1CNR1
SCHEMBL15888010 0.75 MAPK14 (0.44) GRNSORT1CNR1CNR2MAPT
SCHEMBL12789850 0.75 GRN (0.35) GRNSORT1KDM4ENPC1CNR1
SCHEMBL4421820 0.75 GRN (0.58) GRNSORT1KDM4ENPC1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285805-B1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-07-23 EP disclosed
US-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 US disclosed
CN-102066371-A Aryl-quinolyl compounds and their use CANCER REC TECH LTD 2011-05-18 CN disclosed
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
EP-2285805-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2011-02-23 EP disclosed
WO-2009130487-A1 ARYL-QUINOLYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-29 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 (1 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-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF GRN 3128/4885SORT1 3257/4885KDM4E 791/4885

“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.