SCHEMBL25357948

SCHEMBL25357948

NC(=O)c1cccnc1C[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
SLC7A5 Q01650 2/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
PARP1 P09874 1/20 0.45
SYK P43405 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL25357952 1.00 CYP1A2 (0.49) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL31267212 0.89 NAPRT (0.50) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL31288648 0.84 CYP1A2 (0.46) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL10647365 0.81 KDM4E (0.48) PARP1SYKHSD17B10KDM4EALDH1A1
SCHEMBL9952308 0.81 CYP1A2 (0.51) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL13957327 0.79 CYP1A2 (0.50) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL28758399 0.79 CYP1A2 (0.50) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL28251116 0.79 KDM4E (0.47) PARP1SYKHSD17B10KDM4EALDH1A1
SCHEMBL31754293 0.79 CYP1A2 (0.50) CYP1A2SLC7A5ALPIPKMPTGS1
SCHEMBL5560781 0.77 CYP1A2 (0.48) CYP1A2SLC7A5ALPIPKMPTGS1

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
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP1A2 4723/4885SLC7A5 21/4885ALPI 3748/4885

“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.