SCHEMBL5896947

SCHEMBL5896947

CC(C)(C)OC(=O)NCCCNC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
BRD4 O60885 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL5896960 0.96 HRH4 (0.47) ALOX15BRD4HRH4DRD2DRD3
SCHEMBL5680583 0.90 HRH4 (0.47) ALOX15BRD4HRH4ALDH1A1NPC1
SCHEMBL5896819 0.86 HRH4 (0.45) ALOX15BRD4HRH4ALDH1A1NPC1
SCHEMBL20289680 0.83 ALOX15 (0.51) ALOX15DRD2DRD3HDAC1HDAC2
SCHEMBL17140836 0.82 MTNR1A (0.47) BRD4HRH4ALDH1A1NPC1RAB9A
SCHEMBL5896864 0.82 LEF1 (0.51) BRD4HRH4KDM4EALDH1A1NPC1
SCHEMBL5897050 0.80 ALOX15 (0.36) ALOX15BRD4DRD2DRD3HDAC1
SCHEMBL7365267 0.79 HRH4 (0.55) ALOX15HRH4ALDH1A1NPC1RAB9A
SCHEMBL5677239 0.78 ALOX15 (0.49) ALOX15BRD4HRH4DRD2DRD3
SCHEMBL20287498 0.78 ALOX15 (0.49) ALOX15HRH4DRD2DRD3HDAC1

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 2 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
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 3366/4885BRD4 536/4885HRH4 1972/4885

“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.