SCHEMBL3544060

SCHEMBL3544060

C=CCc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ POLB P06746 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3549785 0.83 KDM4E (0.39) ERN1GABRA1GABRB2POLBTDP1
SCHEMBL17182665 0.80 AKR1C3 (0.45) GABRA1GABRB2POLBTDP1AKR1C3
SCHEMBL17182497 0.72 HTT (0.55) GABRA1GABRB2PTGS2POLBTDP1
SCHEMBL3958628 0.72 GABRA1 (0.55) CYP3A4GABRA1GABRB2PTGS2POLB
SCHEMBL22658169 0.72 PTGS2 (0.43) CYP3A4GABRA1GABRB2PTGS2POLB
SCHEMBL11442960 0.69 POLB (0.44) CYP3A4GABRA1GABRB2POLBTDP1
SCHEMBL3550146 0.69 HTT (0.58) CYP3A4PTGS2POLBTDP1AKR1C3
SCHEMBL29435937 0.69 HTT (0.58) CYP3A4PTGS2POLBTDP1AKR1C3
SCHEMBL8430948 0.69 HTT (0.58) CYP3A4PTGS2POLBTDP1AKR1C3
SCHEMBL978246 0.69 ERN1 (0.48) ERN1PTGS2POLBTDP1HTT

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 CYP3A4 3888/4885ERN1 832/4885ALOX15 4471/4885

“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.

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