SCHEMBL6649476

SCHEMBL6649476

COc1ccc(CN(C(=O)CNC(C)=O)[C@H](C(=O)NCC(=O)O)C(C)C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL6649481 1.00 KMT2A (0.46) KMT2AALDH1A1KDM4EPOLBMTNR1A
SCHEMBL997223 0.89 KMT2A (0.43) KMT2AALDH1A1KDM4EPOLBMTNR1A
SCHEMBL997225 0.89 KMT2A (0.43) KMT2AALDH1A1KDM4EPOLBMTNR1A
SCHEMBL19715986 0.73 — —
SCHEMBL10141758 0.68 APLNR (0.65) ALDH1A1POLBMTNR1AMTNR1BTSHR
SCHEMBL14229302 0.66 POLB (0.46) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL9781377 0.66 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL6866453 0.66 APLNR (0.71) KMT2AALDH1A1POLBTSHRMEN1
SCHEMBL14521439 0.66 APLNR (0.61) ALDH1A1POLBMTNR1AMTNR1BTSHR
SCHEMBL14229439 0.66 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EPOLBTSHR

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-3233886-B1 COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES OREAL (FR) 2020-02-26 — — EP disclosed
US-10098827-B2 Compounds in the family of N-acylamino-amides, compositions comprising them, and uses L'OREAL (FR) 2018-10-16 — — US disclosed
US-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES L'OREAL (FR) 2017-12-21 — — US disclosed
EP-1292608-B1 NOVEL COMPOUNDS OF THE N-ACYLAMINO-AMIDE FAMILY, COMPOSITIONS COMPRISING SAME, AND USES OREAL (FR) 2004-07-21 — — 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-20170360667-A1 NEW COMPOUNDS IN THE FAMILY OF N-ACYLAMINO-AMIDES, COMPOSITIONS COMPRISING THEM, AND USES H1-0, CRY1, CCNA1 KMT2A 1630/4885ALDH1A1 736/4885KDM4E 1566/4885
US-10098827-B2 Compounds in the family of N-acylamino-amides, compositions comprising them, and uses CRY1, H1-0, C1R KMT2A 1590/4885ALDH1A1 636/4885KDM4E 1566/4885

“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.

Send feedback