SCHEMBL2329487

SCHEMBL2329487

COC(=O)[C@@H](CS)NCC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
AGTR1 P30556 1/20 0.46
MEN1 O00255 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
DPP4 P27487 1/20 0.42
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2327658 0.88 KMT2A (0.54) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2327960 0.86 LMNA (0.49) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2323847 0.84 MEN1 (0.48) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12009779 0.84 KMT2A (0.53) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL11913605 0.82 KMT2A (0.51) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL10192649 0.80 KMT2A (0.49) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1274533 0.80 KMT2A (0.58) KMT2ANPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2327906 0.79 ATM (0.44) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL2328119 0.78 GAA (0.54) KMT2AALDH1A1RAB9ALMNAGLA
SCHEMBL1839763 0.78 ATM (0.55) KMT2AALDH1A1MEN1MAPTLMNA

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 3153/4885NPC1 4142/4885ALDH1A1 2655/4885

“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.