SCHEMBL5677239

SCHEMBL5677239

CC(C)(C)OC(=O)NCCNC(=O)c1cc2ccc(N)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.45
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
HTR2C P28335 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
HDAC3 O15379 1/20 0.42
BRD4 O60885 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
SCHEMBL20287498 0.86 ALOX15 (0.49) ALOX15NPC1RAB9ABCHEDRD2
SCHEMBL20287482 0.84 DRD2 (0.63) BCHEKDM4EDRD2DRD3HSD17B10
SCHEMBL5896865 0.84 LEF1 (0.54) NPC1RAB9AKDM4EHRH4HDAC2
SCHEMBL5676157 0.83 ALOX15 (0.55) ALOX15NPC1RAB9AKDM4EDRD2
SCHEMBL17141297 0.82 MTNR1A (0.51) BCHEKDM4EHSD17B10ALDH1A1BRD4
SCHEMBL5896960 0.82 HRH4 (0.47) ALOX15NPC1RAB9ABCHEDRD2
SCHEMBL20289680 0.82 ALOX15 (0.51) ALOX15NPC1RAB9AKDM4EDRD2
SCHEMBL28918159 0.79 ALOX15 (0.50) ALOX15NPC1RAB9AKDM4EDRD2
SCHEMBL20287496 0.79 HDAC1 (0.57) NPC1RAB9ABCHEKDM4EDRD2
SCHEMBL28808283 0.79 HRH4 (0.51) ALOX15NPC1RAB9AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L ALOX15 3366/4885NPC1 444/4885RAB9A 965/4885

“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.