Sugi Predict

Sugi Predict / Compounds / SCHEMBL4400153

SCHEMBL4400153

SCHEMBL4400153

CC(C)(C)NC(=O)OC(CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ PPARD Q03181 2/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ TBXA2R P21731 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL2430659 0.73 KMT2A (0.49) MEN1KMT2AHTTSMN1; SMN2MMP1
SCHEMBL27866636 0.72 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1MAPT
SCHEMBL27650924 0.71 MEN1 (0.42) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL6967646 0.71 KCNH2 (0.60) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL27774040 0.69 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL29166101 0.69 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL29166027 0.69 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MMP1MMP9
SCHEMBL4400155 0.69 KCNH2 (0.57) MEN1KMT2AL3MBTL1GALR3HTT
SCHEMBL28966340 0.67 CYP26A1 (0.47) MEN1KMT2AL3MBTL1HTTSMN1; SMN2
SCHEMBL27774164 0.66 MEN1 (0.38) MEN1KMT2ASMN1; SMN2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 — — US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 — — US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 — — US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 — — 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 MEN1 2716/4885KMT2A 3477/4885L3MBTL1 4809/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 MEN1 243/4885KMT2A 4301/4885L3MBTL1 4820/4885

“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.