SCHEMBL25357335

SCHEMBL25357335

NC(Cc1ccc2[nH]ncc2c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.53
CYP3A4 P08684 2/20 0.53
SLC7A5 Q01650 4/20 0.51
HSD17B10 Q99714 2/20 0.51
PTGS1 P23219 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HIF1A Q16665 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 2/20 0.51
PKM P14618 2/20 0.48
ROCK1 Q13464 7/20 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
SCHEMBL25359276 1.00 ROCK2 (0.53) ROCK2CYP3A4SLC7A5HSD17B10PTGS1
SCHEMBL25357327 1.00 ROCK2 (0.53) ROCK2CYP3A4SLC7A5HSD17B10PTGS1
SCHEMBL31267193 1.00 ROCK2 (0.53) ROCK2CYP3A4SLC7A5HSD17B10PTGS1
SCHEMBL16043114 0.89 MAPK1 (0.51) ROCK2CYP3A4KDM4EHIF1ATDP1
SCHEMBL28631696 0.89 SLC7A5 (0.51) ROCK2CYP3A4SLC7A5HSD17B10PTGS1
SCHEMBL31688773 0.89 SLC7A5 (0.51) ROCK2CYP3A4SLC7A5HSD17B10PTGS1
SCHEMBL25361225 0.80 MAPK1 (0.51) ROCK2MAPK1ROCK1CTNNB1WNT3A
SCHEMBL25361222 0.80 MAPK1 (0.51) ROCK2MAPK1ROCK1CTNNB1WNT3A
SCHEMBL3602598 0.79 CYP3A4 (0.63) ROCK2CYP3A4MAPK1
SCHEMBL31688519 0.78 HSD17B10 (0.44) ROCK2CYP3A4SLC7A5HSD17B10PTGS1

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
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-11814444-B2 Cyclic polypeptides for PCSK9 inhibition RA PHARMACEUTICALS, INC. (US) 2023-11-14 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
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 (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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP ROCK2 4310/4885CYP3A4 4397/4885SLC7A5 21/4885
US-11814444-B2 Cyclic polypeptides for PCSK9 inhibition PCSK9, LDLR, PCSK7 ROCK2 1900/4885CYP3A4 4107/4885SLC7A5 3660/4885

“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.