SCHEMBL1193154

SCHEMBL1193154

CCOC(=O)CNc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
GAA P10253 2/20 0.56
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
DHODH Q02127 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48

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
SCHEMBL30730413 1.00 POLB (0.56) POLBGAACNR2ALDH1A1CYP1A2
SCHEMBL808798 0.88 RAB9A (0.48) POLBGAAALDH1A1CYP1A2CYP2C19
SCHEMBL1153284 0.86 ALDH1A1 (0.55) POLBGAAALDH1A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL809087 0.84 ALDH1A1 (0.53) POLBGAAALDH1A1CYP1A2CYP2C19
SCHEMBL11355645 0.82 POLB (0.55) POLBGAAALDH1A1HSD17B10NPC1
SCHEMBL18740426 0.81 PKM (0.47) POLBGAAALDH1A1CYP1A2CYP2C19
SCHEMBL1193623 0.81 ALOX5 (0.56) POLBALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL28157055 0.81 RAB9A (0.51) POLBGAAALDH1A1CYP1A2CYP2C19
SCHEMBL5406287 0.81 ALDH1A1 (0.49) POLBGAAALDH1A1CYP1A2CYP2C19
SCHEMBL5404742 0.81 MEN1 (0.66) POLBGAAALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447339-A Method for preparing alkyl substituted glycine derivative by driving visible light 沈阳师范大学 2024-01-26 CN disclosed
CN-113668004-B Method for electrochemical synthesis of non-natural amino acid derivatives 浙江工业大学 2023-05-23 CN disclosed
CN-113668004-A Method for electrochemically synthesizing non-natural amino acid derivatives 浙江工业大学 2021-11-19 CN disclosed
WO-2016086015-A1 MYOGLOBIN-BASED CATALYSTS FOR CARBENE TRANSFER REACTIONS UNIVERSITY OF ROCHESTER (US) 2016-06-02 WO disclosed
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-05 US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
EP-1740532-A4 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-10 EP disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US disclosed
CN-1960966-A Hydrazide-containing CFTR inhibitor compounds and uses thereof UNIV CALIFORNIA (US) 2007-05-09 CN disclosed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP disclosed
US-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 WO 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 (4 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-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof CFTR, ABCC5, SLC9A5 POLB 4335/4885GAA 1207/4885CNR2 705/4885
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 POLB 4335/4885GAA 1207/4885CNR2 705/4885
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 POLB 4335/4885GAA 1207/4885CNR2 705/4885
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 POLB 3612/4885GAA 1537/4885CNR2 3630/4885

“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.