SCHEMBL13991978

SCHEMBL13991978

C[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
MCHR1 Q99705 9/20 0.44
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
PABPC1 P11940 1/20 0.40
PPIA P62937 1/20 0.40
MGLL Q99685 1/20 0.39
NOTUM Q6P988 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
SCHEMBL13289651 0.89 HDAC1 (0.53) HDAC1MCHR1HDAC4MEF2DMGLL
SCHEMBL2748541 0.80 HDAC1 (0.48) HDAC1MCHR1HDAC4MEF2D
SCHEMBL13991977 0.80 HDAC1 (0.40) HDAC1MCHR1HDAC4MEF2D
SCHEMBL5018180 0.76 HDAC1 (0.42) HDAC1MCHR1HDAC4MEF2D
SCHEMBL5024166 0.76 MCHR1 (0.51) HDAC1MCHR1HDAC4PABPC1
SCHEMBL12341539 0.74 HDAC4 (0.43) HDAC1MCHR1HDAC4MEF2D
SCHEMBL10084241 0.74 HDAC4 (0.43) HDAC1MCHR1HDAC4MEF2D
SCHEMBL13289652 0.74 HDAC1 (0.43) HDAC1MCHR1HDAC4MEF2D
SCHEMBL1244241 0.73 HDAC1 (0.53) HDAC1HDAC4MEF2DPABPC1NOTUM
SCHEMBL10420281 0.72 HDAC1 (0.73) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC1 852/4885MCHR1 4499/4885HDAC4 653/4885

“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.