SCHEMBL3550146

SCHEMBL3550146

COc1ccc([N+](=O)[O-])cc1OC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
TDP1 Q9NUW8 1/20 0.57
CYP19A1 P11511 1/20 0.51
PTGS2 P35354 1/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
MAPT P10636 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46

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
SCHEMBL29435937 1.00 HTT (0.58) HTTTDP1CYP19A1PTGS2LMNA
SCHEMBL8430948 0.94 HTT (0.58) HTTTDP1CYP19A1PTGS2LMNA
SCHEMBL9367150 0.90 AKR1C3 (0.50) HTTTDP1LMNASMN1; SMN2MAPT
SCHEMBL527567 0.84 HTT (0.72) HTTTDP1CYP19A1PTGS2LMNA
SCHEMBL29441283 0.84 HTT (0.72) HTTTDP1CYP19A1PTGS2LMNA
SCHEMBL30363266 0.83 AKR1C3 (0.49) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL2567618 0.83 AKR1C3 (0.49) HTTTDP1LMNASMN1; SMN2PKM
SCHEMBL23213716 0.82 ALDH1A1 (0.55) HTTTDP1CYP19A1LMNAPKM
SCHEMBL9203312 0.82 ALDH1A1 (0.55) HTTTDP1LMNASMN1; SMN2MAPT
SCHEMBL29796127 0.82 ALDH1A1 (0.55) HTTTDP1CYP19A1LMNAPKM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955436-B 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 福建盛迪医药有限公司 2023-08-11 CN disclosed
CN-112955436-A 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-06-11 CN disclosed
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 HTT 543/4885TDP1 1448/4885CYP19A1 3684/4885

“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.