SCHEMBL677615

SCHEMBL677615

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HRH3 Q9Y5N1 3/20 0.45
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL21900557 0.84 HRH3 (0.51) RAB9ALMNAKDM4ENPC1SMN1; SMN2
SCHEMBL12372939 0.84 HRH3 (0.58) RAB9ALMNAKDM4ENPC1SMN1; SMN2
SCHEMBL10202420 0.82 HRH3 (0.55) RAB9ALMNAKDM4ENPC1SMN1; SMN2
SCHEMBL3107207 0.81 RAB9A (0.76) RAB9AMAPTLMNAKDM4ENPC1
SCHEMBL7341006 0.79 NR1H4 (0.65) HDAC1HDAC2HDAC6TP53
SCHEMBL7316607 0.79 NR1H4 (0.65) HDAC1HDAC2HDAC6TP53
SCHEMBL7317106 0.79 NR1H4 (0.65) HDAC1HDAC2HDAC6TP53
SCHEMBL7316179 0.79 NR1H4 (0.65) HDAC1HDAC2HDAC6TP53
SCHEMBL12238264 0.79 HRH3 (0.54) RAB9ALMNAKDM4ENPC1SMN1; SMN2
SCHEMBL8742553 0.78 RAB9A (0.72) RAB9AMAPTLMNAKDM4ENPC1

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 RAB9A 3673/4885MAPT 4409/4885LMNA 2920/4885

“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.