SCHEMBL5896960

SCHEMBL5896960

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
ALOX15 P16050 4/20 0.46
BRD4 O60885 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HTR2C P28335 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL5896947 0.96 ALOX15 (0.47) HRH4ALOX15BRD4NPC1RAB9A
SCHEMBL5680583 0.92 HRH4 (0.47) HRH4ALOX15BRD4NPC1RAB9A
SCHEMBL5896819 0.90 HRH4 (0.45) HRH4ALOX15BRD4NPC1RAB9A
SCHEMBL5896864 0.85 LEF1 (0.51) HRH4BRD4NPC1RAB9AMAPT
SCHEMBL17140836 0.84 MTNR1A (0.47) HRH4BRD4NPC1RAB9ABCHE
SCHEMBL5677239 0.82 ALOX15 (0.49) HRH4ALOX15BRD4NPC1RAB9A
SCHEMBL20287498 0.82 ALOX15 (0.49) HRH4ALOX15NPC1RAB9ABCHE
SCHEMBL20287482 0.81 DRD2 (0.63) HRH4BCHEALDH1A1DRD2DRD3
SCHEMBL7365267 0.81 HRH4 (0.55) HRH4ALOX15NPC1RAB9AMAPT
SCHEMBL20289680 0.78 ALOX15 (0.51) ALOX15NPC1RAB9AALDH1A1DRD2

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 HRH4 1972/4885ALOX15 3366/4885BRD4 536/4885

“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.