SCHEMBL2327592

SCHEMBL2327592

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
LTB4R2 Q9NPC1 5/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL2333497 0.91 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL2328440 0.87 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL2332451 0.85 NPC1 (0.45) KMT2AALDH1A1LMNA
SCHEMBL2330797 0.84 CHRNB2 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL2326673 0.82 MEN1 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL2329911 0.79 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL2327174 0.76 FOLH1 (0.41) KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2330343 0.75 CHRNB2 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL2332673 0.75 NPC1 (0.47) KMT2AALDH1A1LMNA
SCHEMBL2331989 0.75 NPC1 (0.44) KMT2AALDH1A1POLBLMNA

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.