SCHEMBL30259554

SCHEMBL30259554

O=Cc1ccnc(-c2cc(C=O)ccn2)c1.[Au+2]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
UNG P13051 1/20 0.38
CYP2A6 P11509 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
IDH1 O75874 1/20 0.34
ALDH1A3 P47895 1/20 0.33
KDM1A O60341 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL730405 0.98 CCR1 (0.42) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL29387096 0.98 CCR1 (0.42) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL30259309 0.95 CCR1 (0.41) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL17057411 0.89 CYP2A6 (0.37) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL23787847 0.87 KDM4E (0.42) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL1508069 0.86 CCR1 (0.65) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL30472762 0.86 KDM4E (0.54) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL29943121 0.86 CCR1 (0.65) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL4541928 0.86 KDM4E (0.54) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL3721732 0.84 KDM4E (0.44) CCR1CCR5CCR8ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230087073-A1 ANTI-CANCER GOLD COMPLEX, PROCESS OF SYNTHESIS AND METHOD OF TREATMENT THEREOF KING SAUD UNIVERSITY (SA) 2023-03-23 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 (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-20230087073-A1 ANTI-CANCER GOLD COMPLEX, PROCESS OF SYNTHESIS AND METHOD OF TREATMENT THEREOF NDUFAB1, AIFM1, NDUFV2 CCR1 4860/4885CCR5 4705/4885CCR8 4717/4885

“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.