SCHEMBL541814

SCHEMBL541814

O=C(OCc1ccccc1)C1CN1C(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10028651 1.00 FKBP1A (0.47) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL994565 0.87 FKBP1A (0.47) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL11264038 0.81 FKBP1A (0.53) FKBP1AFABP7FABP5HPGDALDH1A1
SCHEMBL25368400 0.81 HPGD (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL7361872 0.78 FKBP1A (0.48) FKBP1AALDH1A1
SCHEMBL17893034 0.78 FKBP1A (0.51) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL7361869 0.78 FKBP1A (0.48) FKBP1AALDH1A1
SCHEMBL8332542 0.78 FKBP1A (0.51) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL17896181 0.78 FKBP1A (0.51) FKBP1APDK1PDK2PDK3PDK4
SCHEMBL997332 0.78 FKBP1A (0.42) FKBP1APDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 FKBP1A 1341/4885PDK1 1100/4885PDK2 577/4885

“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.