SCHEMBL4200575

SCHEMBL4200575

CCOC(=O)c1ccc(C2OCCNC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL28042573 0.75 TAAR1 (0.52)
SCHEMBL31702271 0.74 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL1499458 0.73 CA1 (0.56) ALDH1A1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL27507555 0.72 CA12 (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL28917392 0.70 CA1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL87450 0.70 CA1 (0.83) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL25340952 0.70 RAB9A (0.54) ALDH1A1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL15231562 0.70 ESR2 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4003420 0.70 CA12 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL31115506 0.69 PDE4A (0.52) ALDH1A1RAB9ASMN1; SMN2LMNACA12

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
CN-101875654-A The preparation method of 3-acyl amino cumarone-2-carboxylic acid derivative TANABE SEIYAKU CO 2010-11-03 CN disclosed
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE SEKI MASAHIKO 2009-01-22 US disclosed
US-7439368-B2 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-10-21 US disclosed
CN-1842528-A Process for preparing 3-acylaminobenzofuran-2-carboxylic acid derivatives TANABE SEIYAKU CO (JP) 2006-10-04 CN disclosed
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-08-03 US disclosed
EP-1640373-A1 PROCESS FOR PRODUCING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-03-29 EP 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-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative F12, F3, F11 ALDH1A1 661/4885RAB9A 2600/4885SMN1; SMN2 4062/4885
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE F12, F3, F11 ALDH1A1 690/4885RAB9A 2586/4885SMN1; SMN2 3833/4885

“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.