SCHEMBL5326873

SCHEMBL5326873

NC(Cc1cccnn1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
SLC7A5 Q01650 4/20 0.50
HSD17B10 Q99714 2/20 0.50
PTGS1 P23219 2/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
P2RX7 Q99572 1/20 0.42
GRIA2 P42262 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SLC1A3 P43003 2/20 0.41
VNN1 O95497 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
PTPRA P18433 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 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
SCHEMBL5326890 0.83 CYP1A2 (0.71) CYP1A2SLC7A5HSD17B10PTGS1ALPI
SCHEMBL21946220 0.81 CYP1A2 (0.68) CYP1A2P2RX7CTDSP1VNN1PTGS2
Hydrochloric Acid SCHEMBL29657231 0.80 CYP1A2 (0.66) CYP1A2P2RX7CTDSP1VNN1PTGS2
Hydrochloric Acid SCHEMBL28366679 0.80 CYP1A2 (0.66) CYP1A2P2RX7CTDSP1VNN1PTGS2
Hydrochloric Acid SCHEMBL28366682 0.80 CYP1A2 (0.66) CYP1A2P2RX7CTDSP1VNN1PTGS2
SCHEMBL29401000 0.77 PTPRA (0.67) CYP1A2SLC7A5HSD17B10PTGS1ALPI
SCHEMBL22409316 0.77 PTPRA (0.67) CYP1A2SLC7A5HSD17B10PTGS1ALPI
SCHEMBL29805516 0.77 PTPRA (0.67) CYP1A2SLC7A5HSD17B10PTGS1ALPI
SCHEMBL126508 0.77 PTPRA (0.67) CYP1A2SLC7A5HSD17B10PTGS1ALPI
SCHEMBL126509 0.77 PTPRA (0.67) CYP1A2SLC7A5HSD17B10PTGS1ALPI

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 4851/4885SLC7A5 3712/4885HSD17B10 4778/4885

“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.