SCHEMBL5896819

SCHEMBL5896819

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
BRD4 O60885 1/20 0.42
BCHE P06276 1/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
NQO2 P16083 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ALOX15 P16050 1/20 0.36
RIPK1 Q13546 1/20 0.36

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 0.90 HRH4 (0.47) HRH4BRD4BCHEMAPTALOX5
SCHEMBL5896947 0.86 ALOX15 (0.47) HRH4BRD4MAPTNPC1RAB9A
SCHEMBL5680583 0.83 HRH4 (0.47) HRH4BRD4MAPTSMN1; SMN2ALOX5
SCHEMBL17140836 0.82 MTNR1A (0.47) HRH4BRD4BCHEMAPTSMN1; SMN2
SCHEMBL7365267 0.79 HRH4 (0.55) HRH4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5896864 0.76 LEF1 (0.51) HRH4BRD4MAPTNPC1RAB9A
SCHEMBL3029155 0.72 HRH4 (0.58) HRH4MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL20287498 0.72 ALOX15 (0.49) HRH4BCHENPC1RAB9AALOX15
SCHEMBL5677239 0.72 ALOX15 (0.49) HRH4BRD4BCHENPC1RAB9A
SCHEMBL15584613 0.72 KCNJ1 (0.57) BRD4MAPTSMN1; SMN2ALDH1A1MEN1

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 1972/4885BRD4 536/4885BCHE 3093/4885

“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.