SCHEMBL677604

SCHEMBL677604

COc1ccc(-c2cc(-c3ccc(C(=O)C(C)C)cc3)no2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 6/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.48
PTGS2 P35354 1/20 0.47
PTPN1 P18031 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL677568 0.85 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL12171979 0.85 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL12171611 0.85 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL12171880 0.85 NPC1 (0.72) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL12171504 0.85 NPC1 (0.72) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL18314432 0.84 SMPD1 (0.60) SMN1; SMN2MAPTCYP1A2
SCHEMBL1181029 0.83 NPC1 (0.87) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL677623 0.83 SMPD1 (0.57) TP53CYP1A2
SCHEMBL31341260 0.80 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL18031151 0.79 NPC1 (0.75) RAB9ANPC1SMN1; SMN2HPGDTP53

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 3673/4885NPC1 353/4885SMN1; SMN2 4626/4885

“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.