SCHEMBL5728635

SCHEMBL5728635

N=C(NCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 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
Hydrochloric Acid SCHEMBL11625721 0.98 ABAT (0.46) ABATGAAMAPTKDM4EMEN1
SCHEMBL11585727 0.82 CYP1A2 (0.47) GAAMAPTKDM4EMEN1HPGD
SCHEMBL6243640 0.82 CA2 (0.47) GAAMAPTKDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL11624632 0.82 GAA (0.42) GAAMAPTKDM4EMEN1HPGD
Hippuric Acid SCHEMBL7486 0.78 GAA (0.68) GAAMAPTKDM4EALOX15SMN1; SMN2
SCHEMBL22030672 0.78 GAA (0.68) GAAMAPTKDM4EALOX15SMN1; SMN2
Hippuric Acid SCHEMBL428479 0.78 GAA (0.68) GAAMAPTKDM4EALOX15SMN1; SMN2
Hippuric Acid SCHEMBL3028 0.78 MAPT (0.61) GAAMAPTKDM4EHPGDSMN1; SMN2
Benzamide SCHEMBL27820629 0.77 MAPT (0.57) ABATGAAMAPTKDM4EMEN1
SCHEMBL7469076 0.77 PTPRC (0.49) MAPTKDM4ETDP1PTPRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1267369-B1 Pyridine compound, its use as charge transfer material, and photoelectrochemical cell FUJIFILM CORP (JP) 2009-11-11 EP disclosed
US-20060270850-A1 Processes for preparation of pyrimidine derivatives and intermediates AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1695967-A1 PROCESSES FOR PRODUCTION OF PYRIMIDINE DERIVATIVES AND INTERMEDIATES Ajinomoto Co., Inc. (JP) 2006-08-30 EP disclosed
US-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof AJINOMOTO CO., INC. (JP) 2005-08-11 US disclosed
US-20050165234-A1 Process for preparing pyrimidine compound AJINOMOTO CO. INC (JP) 2005-07-28 US disclosed
EP-1553090-A1 PROCESS FOR PRODUCING PYRIMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2005-07-13 EP disclosed
EP-1529778-A1 Production method of pyrimidine derivative, intermediate therefor Ajinomoto Co., Inc. (JP) 2005-05-11 EP disclosed
EP-0782991-B1 Process for the preparation of 2-substituted 5-chloroimidazole-4-carbaldehydes LONZA AG (CH) 2002-04-17 EP disclosed
US-5696272-A Process for the production of 2-substituted 5-chloroimidazole-4-carbaldehydes LONZA LTD. (CH) 1997-12-09 US disclosed
EP-0782991-A1 Process for the preparation of 2-substituted 5-chloroimidazole-4-carbaldehydes LONZA AG (CH) 1997-07-09 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 (3 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-20050165234-A1 Process for preparing pyrimidine compound SERPINB1, CMA1, CTRC ABAT 2104/4885GAA 54/4885MAPT 4138/4885
US-20050176966-A1 Process for the preparation of pyrimidine derivative, intermediate therefor and process for the preparation thereof DPYD, WEE1, DCXR ABAT 581/4885GAA 575/4885MAPT 4279/4885
US-20060270850-A1 Processes for preparation of pyrimidine derivatives and intermediates PDXK, RNASEL, DPYD ABAT 1498/4885GAA 385/4885MAPT 4778/4885

“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.