SCHEMBL4046446

SCHEMBL4046446

COC(=O)N(c1ccccc1)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
KMT2A Q03164 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL17735706 0.87 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL9407522 0.81 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL5370757 0.81 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL11199882 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL13519347 0.80 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL27337916 0.79 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL27416995 0.77 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL2640929 0.77 ALOX5 (0.52) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL27813706 0.76 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL7638543 0.76 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TP53TSHR

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
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 ALDH1A1 1550/4885LMNA 2726/4885SMN1; SMN2 3973/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 ALDH1A1 2206/4885LMNA 2181/4885SMN1; SMN2 3459/4885

“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.