SCHEMBL678081

SCHEMBL678081

COCCCCCCOc1ccc(-c2nnc(-c3ccc(C(=O)C(C)C)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC6 Q9UBN7 1/20 0.51
XIAP P98170 1/20 0.49
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RARB P10826 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7316179 0.86 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6RARB
SCHEMBL7317106 0.86 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6RARB
SCHEMBL7341006 0.86 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6RARB
SCHEMBL7316607 0.86 NR1H4 (0.65) NR1H4HDAC1HDAC2HDAC6RARB
SCHEMBL7319177 0.85 MAPT (0.56) NR1H4HDAC1HDAC2HDAC6XIAP
SCHEMBL7397503 0.85 MAPT (0.56) NR1H4HDAC1HDAC2HDAC6XIAP
SCHEMBL7324575 0.85 MAPT (0.56) NR1H4HDAC1HDAC2HDAC6XIAP
SCHEMBL6380497 0.78 NR1H4 (0.64) NR1H4HDAC1HDAC2HDAC6XIAP
SCHEMBL6372150 0.77 NR1H4 (0.51) NR1H4HDAC1HDAC2HDAC6XIAP
SCHEMBL7331757 0.77 RARB (0.56) HDAC1HDAC2HDAC6XIAPRAB9A

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
US-7902148-B2 Use of an echinocandin antifungal agent in combination with a glycopeptide antibacterial agent THERAVANCE, INC. (US) 2011-03-08 US disclosed
US-20090221470-A1 USE OF AN ECHINOCANDIN ANTIFUNGAL AGENT IN COMBINATION WITH A GLYCOPEPTIDE ANTIBACTERIAL AGENT CUMBERLAND PHARMACEUTICALS INC. 2009-09-03 US disclosed
US-7452861-B2 Use of an echinocandin antifungal agent in combination with a glycopeptide antibacterial agent THERAVANCE, INC. (US) 2008-11-18 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-20090221470-A1 USE OF AN ECHINOCANDIN ANTIFUNGAL AGENT IN COMBINATION WITH A GLYCOPEPTIDE ANTIBACTERIAL AGENT DPM1, ERG28, ENGASE NR1H4 3661/4885HDAC1 3681/4885HDAC2 3704/4885

“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.