SCHEMBL3544875

SCHEMBL3544875

CCCc1cc(C(=O)N2CCC2C(=O)OC)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PDK2 Q15119 2/20 0.48
KMT2A Q03164 2/20 0.42
FKBP1A P62942 3/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOX P28300 1/20 0.40
ROCK2 O75116 1/20 0.40
MEN1 O00255 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
SCHEMBL3544878 1.00 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APDK2KMT2A
SCHEMBL3547351 0.89 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APDK2KMT2A
SCHEMBL3547353 0.89 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APDK2KMT2A
Hydroxyamine SCHEMBL3621021 0.88 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10L3MBTL1POLB
Hydroxyamine SCHEMBL3621023 0.88 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10L3MBTL1POLB
SCHEMBL3548217 0.85 FKBP1A (0.43) ALDH1A1NPC1RAB9APDK2FKBP1A
SCHEMBL3544267 0.85 FKBP1A (0.51) ALDH1A1NPC1RAB9AFKBP1A
SCHEMBL3548221 0.85 FKBP1A (0.43) ALDH1A1NPC1RAB9APDK2FKBP1A
SCHEMBL3544265 0.85 FKBP1A (0.51) ALDH1A1NPC1RAB9AFKBP1A
SCHEMBL3547715 0.85 FKBP1A (0.44) ALDH1A1NPC1RAB9APDK2KMT2A

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-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE ALDH1A1 2309/4885NPC1 3597/4885RAB9A 3256/4885

“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.