SCHEMBL5322835

SCHEMBL5322835

NC(CCc1ncc2[nH]cnc2n1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.38
SLC7A5 Q01650 1/20 0.38
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRM2 Q14416 2/20 0.36
CDK2 P24941 2/20 0.36
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL5325201 0.86 SLC7A5 (0.47) ALDH1A1RXFP1KDM4ECYP3A4SLC7A5
SCHEMBL10694875 0.80 ALDH1A1 (0.46) ALDH1A1RXFP1KDM4ECDK2CCNT1
SCHEMBL5322828 0.78 CYP3A4 (0.38) ALDH1A1CYP3A4SLC7A5GRIK1GRIA1
SCHEMBL8628643 0.77 PDPK1 (0.45) GRM2POLA1CYP1A2
SCHEMBL27747326 0.77 ALDH1A1 (0.46) ALDH1A1RXFP1KDM4ECDK2CCNT1
SCHEMBL31618832 0.75 ALDH1A1 (0.47) ALDH1A1RXFP1KDM4ECYP3A4CDK2
SCHEMBL27658630 0.75 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4ECYP3A4CDK2
SCHEMBL21274620 0.74 ALDH1A1 (0.44) ALDH1A1RXFP1KDM4ECDK2CCNT1
SCHEMBL23409494 0.74 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4ECDK2CCNT1
Iodide SCHEMBL28673351 0.73 ALDH1A1 (0.53) ALDH1A1RXFP1KDM4ECDK2CCNT1

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 ALDH1A1 4879/4885RXFP1 177/4885KDM4E 2053/4885

“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.