SCHEMBL5326890

SCHEMBL5326890

NC(CCc1cccnn1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
CTDSP1 Q9GZU7 1/20 0.43
KIF11 P52732 3/20 0.41
SLC1A5 Q15758 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
P2RX7 Q99572 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
VNN1 O95497 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK2 Q13002 1/20 0.38

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
SCHEMBL5326873 0.83 CYP1A2 (1.00) CYP1A2CTDSP1HSD17B10P2RX7ALPI
SCHEMBL30428132 0.79 SLC1A5 (0.56) CYP1A2KIF11SLC1A5
SCHEMBL1176394 0.79 SLC1A5 (0.56) CYP1A2KIF11SLC1A5
SCHEMBL1768948 0.79 SLC1A5 (0.56) CYP1A2KIF11SLC1A5
SCHEMBL31080880 0.74 CYP1A2 (0.53) CYP1A2CTDSP1P2RX7VNN1
SCHEMBL25660463 0.74 CYP1A2 (0.53) CYP1A2CTDSP1P2RX7VNN1
SCHEMBL8766530 0.73 CYP1A2 (0.49) CYP1A2CTDSP1P2RX7VNN1NOS1
SCHEMBL10772468 0.73 CYP1A2 (0.51) CYP1A2CTDSP1P2RX7VNN1
SCHEMBL30421162 0.73 CYP1A2 (0.51) CYP1A2CTDSP1P2RX7VNN1
SCHEMBL21946220 0.72 CYP1A2 (0.68) CYP1A2CTDSP1KIF11P2RX7VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 CYP1A2 4851/4885CTDSP1 466/4885KIF11 1678/4885

“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.