SCHEMBL7787385

SCHEMBL7787385

CC1CN(Cc2ccc(C(F)(F)F)cc2)Cc2sc(C(=O)NO)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
TEAD1 P28347 2/20 0.39
HIF1A Q16665 3/20 0.39
EPAS1 Q99814 3/20 0.39
HDAC6 Q9UBN7 4/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
HDAC11 Q96DB2 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNH2 Q12809 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL1175397 0.81 KDM4E (0.54) HDAC1HIF1AEPAS1HDAC6HDAC11
SCHEMBL1173817 0.78 HDAC6 (0.50) HDAC1HIF1AEPAS1HDAC6HDAC11
SCHEMBL1175221 0.76 PRMT5 (0.52) HDAC1HIF1AEPAS1HDAC6HDAC11
SCHEMBL7798751 0.74 CCR1 (0.37) HDAC1HDAC6KDM4EHDAC3HDAC2
SCHEMBL17078934 0.67 HDAC6 (0.66) HDAC1HIF1AEPAS1HDAC6HDAC11
SCHEMBL1174424 0.67 DRD2 (0.44) HDAC1HIF1AEPAS1HDAC6DRD4
SCHEMBL7794946 0.66 HDAC6 (0.56) HDAC6
SCHEMBL17078638 0.65 HDAC6 (0.74) HDAC1HIF1AEPAS1HDAC6DRD4
SCHEMBL17086779 0.65 HIF1A (0.60) HDAC1HIF1AEPAS1HDAC6DRD4
SCHEMBL12198326 0.65 KDM4E (0.59) TEAD1HIF1AEPAS1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC1 3/4885TEAD1 3682/4885HIF1A 295/4885

“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.