SCHEMBL4289867

SCHEMBL4289867

FC(F)(F)c1csc2cc(-c3ccccc3)ccc12.OBO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
KIF11 P52732 3/20 0.37
F9 P00740 3/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
LDHA P00338 1/20 0.35
PTPN1 P18031 2/20 0.34
C1S P09871 1/20 0.33
PDK2 Q15119 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
EPHX2 P34913 1/20 0.33
LIMK1 P53667 1/20 0.33
PTPN5 P54829 1/20 0.33
ALOX5 P09917 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL4289871 0.75 MAPT (0.39) HSD17B1HSD17B2AR
SCHEMBL20654524 0.73 LIMK1 (0.38) F9LIMK1ALOX5
SCHEMBL30492726 0.71 CYP2A6 (0.45) HDAC6KIF11
SCHEMBL9103428 0.71 CYP2A6 (0.45) HDAC6KIF11
SCHEMBL28351925 0.71 ALDH1A1 (0.41) F9PTPN1LIMK1ALOX5
SCHEMBL21338369 0.69 TNKS2 (0.44) F9LIMK1ALOX5
SCHEMBL3407569 0.69 CYP2A6 (0.39) PTPN1AR
SCHEMBL18791161 0.69 LMNA (0.38) KIF11AR
SCHEMBL13660795 0.69 MGLL (0.40)
SCHEMBL14093011 0.67 KIF11 (0.45) KIF11PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US 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-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 HDAC6 1317/4885KIF11 4864/4885F9 2187/4885

“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.