SCHEMBL2328440

SCHEMBL2328440

O=C(O)[C@H](CCS)N(C(=O)c1ccccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.44
BCAT2 O15382 1/20 0.43
LTB4R2 Q9NPC1 6/20 0.41
TACR1 P25103 1/20 0.37
LPAR1 Q92633 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
FOLH1 Q04609 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
FNTA P49354 1/20 0.36

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
SCHEMBL2329911 0.89 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL2327592 0.87 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1LTB4R2
SCHEMBL2331281 0.82 CHRNB2 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL2332319 0.82 MLYCD (0.42) KMT2ASMN1; SMN2ALDH1A1FOLH1
SCHEMBL2331098 0.80 MEN1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL2331989 0.80 NPC1 (0.44) KMT2AALDH1A1LPAR1
SCHEMBL2333497 0.79 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1LTB4R2
SCHEMBL2323908 0.77 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL2327734 0.72 FOLH1 (0.41) SMN1; SMN2ALDH1A1LTB4R2FOLH1
SCHEMBL31530763 0.72 FOLH1 (0.41) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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 (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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 KMT2A 3153/4885MEN1 4082/4885SMN1; SMN2 711/4885

“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.