SCHEMBL8933138

SCHEMBL8933138

COC(=O)C(Cc1ccc(N)cc1)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.52
LNPEP Q9UIQ6 3/20 0.52
ATM Q13315 2/20 0.50
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
POLB P06746 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PAM P19021 1/20 0.47

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
SCHEMBL6572925 1.00 TACR1 (0.52) TACR1LNPEPATMALDH1A1THRB
SCHEMBL30286967 1.00 TACR1 (0.52) TACR1LNPEPATMALDH1A1THRB
SCHEMBL315117 0.86 NPSR1 (0.61) TACR1LNPEPATMALDH1A1KMT2A
SCHEMBL2522737 0.86 NPSR1 (0.61) TACR1LNPEPATMALDH1A1KMT2A
SCHEMBL17176127 0.86 ATM (0.63) TACR1LNPEPATMALDH1A1THRB
SCHEMBL3050135 0.86 NPSR1 (0.61) TACR1LNPEPATMALDH1A1KMT2A
SCHEMBL14542254 0.86 ALDH1A1 (0.54) TACR1LNPEPATMALDH1A1THRB
SCHEMBL13053633 0.86 ATM (0.63) TACR1LNPEPATMALDH1A1THRB
SCHEMBL22303600 0.85 LNPEP (0.53) LNPEPATMALDH1A1HDAC1HDAC6
SCHEMBL22338883 0.85 LNPEP (0.53) LNPEPATMALDH1A1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907261-B 2-phenylaminoquinoline derivative, preparation method and application thereof 湖南中医药大学 2023-10-27 CN disclosed
CN-113845485-B Amino acid derivative and preparation method and application thereof 湖南中医药大学 2023-03-14 CN disclosed
CN-114907261-A 2-phenylamino quinoline derivative and preparation method and application thereof 湖南中医药大学 2022-08-16 CN disclosed
US-8217137-B2 Fullerene-based amino acids WILLIAM MARSH RICE UNIVERSITY (US) 2012-07-10 US disclosed
US-8217137-B2 Fullerene-based amino acids WILLIAM MARSH RICE UNIVERSITY (US) 2012-07-10 US disclosed
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-05-22 US disclosed
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO 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-20080118464-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT TACR1 4409/4885LNPEP 9/4885ATM 1187/4885

“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.