SCHEMBL1742576

SCHEMBL1742576

O=C(O)NC(CCc1nc(CO)cs1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
FFAR2 O15552 5/20 0.38
SCD O00767 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 4/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL12241789 0.86 PTPRB (0.49) HDAC1HDAC6LMNAKDM4EMAPT
SCHEMBL1742102 0.81 FFAR2 (0.40) FFAR2FFAR1
SCHEMBL1742805 0.80 FFAR2 (0.37) HDAC1HDAC6FFAR2FFAR1PPARG
SCHEMBL1742045 0.77 HDAC1 (0.38) HDAC1HDAC6LMNAMAPTSMN1; SMN2
SCHEMBL1519730 0.77 FFAR2 (0.46) HDAC1FFAR2FFAR1EPHX2PPARG
SCHEMBL5469880 0.77 FFAR2 (0.46) HDAC1FFAR2FFAR1EPHX2PPARG
SCHEMBL18003421 0.77 HDAC1 (0.65) HDAC1HDAC6POLBTP53HDAC3
SCHEMBL1742123 0.76 FFAR2 (0.39) HDAC1HDAC6FFAR2HDAC3HDAC2
SCHEMBL1744294 0.75 HDAC1 (0.36) HDAC1HDAC6KDM4EPTPRB
SCHEMBL1742750 0.75 HDAC1 (0.39) HDAC1HDAC6LMNAKDM4EMAPT

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
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 HDAC1 468/4885HDAC6 362/4885LMNA 3189/4885

“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.