SCHEMBL4186674

SCHEMBL4186674

O=C(O)C1CCCN1C(=O)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.76
THRB P10828 1/20 0.76
ALOX12 P18054 1/20 0.76
ITGB3 P05106 1/20 0.68
ITGB1 P05556 1/20 0.68
ITGAV P06756 1/20 0.68
ITGA5 P08648 1/20 0.68
ITGA4 P13612 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 3/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
FKBP1A P62942 2/20 0.62
HTT P42858 1/20 0.59
POLB P06746 1/20 0.58
DGAT1 O75907 2/20 0.55
MEN1 O00255 1/20 0.53

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
SCHEMBL7309663 0.95 THRB (0.70) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL16098798 0.91 THRB (0.73) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL27627515 0.89 ALDH1A1 (0.79) KMT2ATHRBALOX12SMN1; SMN2NPC1
SCHEMBL5734401 0.88 NPC1 (0.63) KMT2ATHRBALOX12ITGB3ITGB1
Iodide SCHEMBL10827466 0.87 NPC1 (0.62) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL5734080 0.87 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL5850374 0.87 KMT2A (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL20446598 0.87 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL4190364 0.87 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL23418057 0.85 ALDH1A1 (0.70) KMT2ATHRBALOX12SMN1; SMN2NPC1

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-117180269-A Application of Intergrin alpha 4 beta 1 agonist in preparation of product for improving hematopoietic stem cell implantation success rate 上海市第一人民医院 2023-12-08 CN claimed
CN-117180269-A Application of Intergrin alpha 4 beta 1 agonist in preparation of product for improving hematopoietic stem cell implantation success rate 上海市第一人民医院 2023-12-08 CN disclosed
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7504500-B2 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products MERCK PATENT GMBH (DE) 2009-03-17 US disclosed
EP-1760081-A1 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2-(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products Merck Patent GmbH (DE) 2007-03-07 EP disclosed
US-20060211692-A1 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2-(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products MERCK PATENT GMBH (DE) 2006-09-21 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-20060211692-A1 Method for the production of pyrrolidine-1,2-dicarboxylic acid-1-(phenyl(-amide))-2-(phenyl(-amide)) derivatives and 1-(phenylcarbamoyl)-pyrrolidine-2-carboxylic acid derivatives as intermediate products PDHA2, PDHA1, CPS1 KMT2A 1826/4885THRB 2811/4885ALOX12 2471/4885

“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.