SCHEMBL5514761

SCHEMBL5514761

CC(COS(C)(=O)=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5514759 1.00 TDP1 (0.53) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL13026882 0.82 TDP1 (0.51) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL13026902 0.82 TDP1 (0.51) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL4114031 0.81 VDR (0.55) TDP1LMNAMAPTALDH1A1KDM4E
SCHEMBL10639438 0.81 VDR (0.55) TDP1LMNAMAPTALDH1A1KDM4E
SCHEMBL594242 0.81 VDR (0.55) TDP1LMNAMAPTALDH1A1KDM4E
SCHEMBL5999905 0.80 TDP1 (0.39) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL4626053 0.80 TDP1 (0.59) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL11914467 0.80 TDP1 (0.59) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL9933904 0.80 TDP1 (0.59) TDP1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 — — US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 — — US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 — — US disclosed
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-02-02 — — US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 — — US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 — — 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 (2 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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 877/4885PDE4A 3476/4885PDE4B 3079/4885
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 TDP1 954/4885PDE4A 3125/4885PDE4B 2633/4885

“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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