SCHEMBL20119309

SCHEMBL20119309

O=C(OCc1ccccc1)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
KMT2A Q03164 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
MAPT P10636 4/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
LMNA P02545 4/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
BCHE P06276 1/20 0.55
PKM P14618 1/20 0.54
HCAR2 Q8TDS4 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52

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
SCHEMBL28117924 0.90 KMT2A (0.69) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL5336730 0.89 KDM4E (0.67) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL312910 0.88 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL56565 0.83 RAB9A (0.82) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL181934 0.83 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL5335214 0.83 MAPT (0.63) TDP1KMT2ASLC6A2SLC6A3MAPT
Benzyl Benzoate SCHEMBL8010992 0.82 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3MAPT
Benzyl Benzoate SCHEMBL3038 0.82 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3MAPT
Benzyl Benzoate SCHEMBL901058 0.82 KMT2A (1.00) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL318600 0.82 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
WO-2021136805-A1 NOVEL PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-07-08 WO disclosed
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NUVATION BIO INC. (US) 2020-10-06 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
EP-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed
US-20190023702-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
CN-1374967-A Compounds for the treatment of ischemia PFIZER PROD INC (US) 2002-10-16 CN 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 (3 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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT TDP1 4166/4885KMT2A 3608/4885SLC6A2 4264/4885
US-10793561-B2 1,8-naphthyridinone compounds and uses thereof NME1, ADORA2A, GPR68 TDP1 1401/4885KMT2A 2285/4885SLC6A2 2928/4885
US-20190023702-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 TDP1 1401/4885KMT2A 2285/4885SLC6A2 2928/4885

“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.