SCHEMBL5018702

SCHEMBL5018702

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
SCN9A Q15858 1/20 0.51
ADCY6 O43306 1/20 0.49
ADCY3 O60266 1/20 0.49
ADCY9 O60503 1/20 0.49
ADCY5 O95622 1/20 0.49
ADCY8 P40145 1/20 0.49
GCGR P47871 1/20 0.49
ADCY7 P51828 1/20 0.49
ADCY2 Q08462 1/20 0.49

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
SCHEMBL5018899 0.94 HDAC4 (0.60) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL9951729 0.94 HDAC4 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2748147 0.91 HDAC4 (0.57) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2749004 0.89 HDAC1 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL13290343 0.88 HDAC4 (0.51) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2747341 0.87 HDAC4 (0.55) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5018860 0.87 HDAC4 (0.53) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5018815 0.87 HDAC4 (0.50) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL5018901 0.85 HDAC4 (0.49) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2749116 0.85 HDAC1 (0.67) HDAC4HDAC1HDAC8HDAC3HDAC7

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-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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 (2 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC4 653/4885HDAC1 852/4885HDAC8 661/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC4 653/4885HDAC1 852/4885HDAC8 661/4885

“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.