SCHEMBL4597570

SCHEMBL4597570

Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
GABBR2 O75899 3/20 0.39
GABBR1 Q9UBS5 3/20 0.39
TOP1 P11387 1/20 0.39
APP P05067 1/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
PTPN1 P18031 1/20 0.38
S100A4 P26447 1/20 0.38

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
SCHEMBL2555332 0.78 MGLL (0.43) KIF11NTRK1NTRK2KDM4ENPC1
SCHEMBL2462041 0.78 SYK (0.45) KIF11NTRK1NTRK2KDM4ERAB9A
SCHEMBL28123958 0.77 KIF11 (0.46) KIF11NTRK1NTRK2
SCHEMBL400608 0.76 NTRK1 (0.52) NTRK1NTRK2KDM4EPTPN1
SCHEMBL4144452 0.75 KIF11 (0.42) KIF11MKNK1MKNK2LMNATHRB
SCHEMBL5360517 0.75 SYK (0.45) NTRK1KDM4EPOLBRAB9AS100A4
SCHEMBL12957326 0.74 MAOB (0.43) KIF11KDM4EPOLBMKNK1MKNK2
SCHEMBL10992758 0.73 ACP1 (0.46) KDM4ENPC1RAB9A
SCHEMBL398066 0.72 NTRK1 (0.52) NTRK1NTRK2KDM4ENPC1RAB9A
SCHEMBL23378575 0.72 PDE10A (0.46) KIF11KDM4ENPC1RAB9AMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP disclosed
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 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 (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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 KIF11 4058/4885NTRK1 2450/4885NTRK2 487/4885

“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.