SCHEMBL5325201

SCHEMBL5325201

NC(Cc1ncc2[nH]cnc2n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.41
CDK2 P24941 2/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MPO P05164 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC1A3 P43003 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL5322835 0.86 ALDH1A1 (0.43) SLC7A5CYP3A4ALDH1A1RXFP1KDM4E
SCHEMBL28759590 0.79 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4ECDK2LMNA
SCHEMBL23779416 0.79 ALDH1A1 (0.44) ALDH1A1RXFP1KDM4ECDK2CCNT1
SCHEMBL9080043 0.78 CYP1A2 (0.50) CDK2SLC1A3
Dl-Phenylalanine SCHEMBL27773920 0.77 SLC7A5 (0.51) SLC7A5CYP3A4ALDH1A1KDM4ECDK2
SCHEMBL31618832 0.77 ALDH1A1 (0.47) CYP3A4ALDH1A1RXFP1KDM4ECDK2
SCHEMBL5325198 0.77 SLC7A5 (0.47) SLC7A5CYP3A4KDM4EHSD17B10LMNA
SCHEMBL2640835 0.77 ALDH1A1 (0.47) ALDH1A1RXFP1KDM4ECDK2CCNT1
SCHEMBL28839814 0.76 ALDH1A1 (0.46) ALDH1A1RXFP1KDM4ECDK2CCNT1
SCHEMBL23409494 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4ECDK2HSD17B10

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 SLC7A5 3712/4885CYP3A4 4803/4885ALDH1A1 4879/4885

“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.