SCHEMBL1742045

SCHEMBL1742045

O=C(O)NC(CCc1nc(CCl)cs1)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.38
HDAC6 Q9UBN7 7/20 0.38
SLC40A1 Q9NP59 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
ADORA2A P29274 2/20 0.34
TKT P29401 1/20 0.34
KCNH2 Q12809 2/20 0.33
ADORA2B P29275 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 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
SCHEMBL1744294 0.88 HDAC1 (0.36) HDAC1HDAC6SLC40A1ALDH1A1ADORA2A
SCHEMBL13285667 0.88 PTPRB (0.37) HDAC1HDAC6SLC40A1ALDH1A1TDP1
SCHEMBL2544840 0.78 PTPRB (0.46) HDAC1HDAC6SLC40A1
SCHEMBL2544837 0.78 PTPRB (0.46) HDAC1HDAC6SLC40A1
SCHEMBL1742576 0.77 HDAC1 (0.50) HDAC1HDAC6SMN1; SMN2MAPTLMNA
SCHEMBL12241786 0.77 PTPRB (0.39) ALDH1A1TDP1SMN1; SMN2MAPTHPGD
SCHEMBL1743725 0.76 TSHR (0.35) HDAC1HDAC6SLC40A1ALDH1A1CYP2D6
SCHEMBL1743303 0.74 TRPV3 (0.41) TKTKCNH2CYP2C8CYP2D6CYP2C9
SCHEMBL1744297 0.74 KCNQ3 (0.37) KCNH2CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL3644221 0.73 TRPV3 (0.42) TDP1TKTKCNH2CYP2C8CYP2D6

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 362/4885SLC40A1 3070/4885

“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.