Sugi Predict

Sugi Predict / Compounds / SCHEMBL5580256

SCHEMBL5580256

SCHEMBL5580256

O=C1NC(=O)C(c2ccc(Cl)c(Cl)c2)N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.56
▸ SLC6A2 P23975 10/20 0.49
▸ SLC6A3 Q01959 10/20 0.49
▸ SLC6A4 P31645 4/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ LIG1 P18858 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL11083170 0.85 GAA (0.58) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL11652878 0.81 GAA (0.61) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL7167731 0.81 TDP1 (0.69) TDP1SLC6A2SLC6A3SLC6A4GAA
SCHEMBL13527924 0.80 TDP1 (0.80) TDP1BACE1GAAALDH1A1MAPT
SCHEMBL7409363 0.80 PKM (0.51) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL11652352 0.79 TDP1 (0.47) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL13948721 0.79 TDP1 (0.47) TDP1GAAALDH1A1MAPTLMNA
SCHEMBL11647182 0.77 HTT (0.57) TDP1SLC6A2SLC6A3SLC6A4GAA
SCHEMBL11648008 0.76 TDP1 (0.52) TDP1SLC6A2SLC6A3GAAALDH1A1
SCHEMBL9163270 0.75 GAA (0.62) TDP1GAAALDH1A1MAPTLMNA

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-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 — — US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 — — US disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 — — US disclosed
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting ZERIA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 — — US disclosed
EP-1650189-A1 BENZYLAMINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2006-04-26 — — EP disclosed
US-4094741-A CULTURES, ASYMMETRIC HYDROLYSIS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1978-06-13 — — 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-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting KCNAB1, BDKRB2, ARRB1 TDP1 2342/4885SLC6A2 815/4885SLC6A3 1021/4885

“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.