SCHEMBL4406097

SCHEMBL4406097

[Au].c1ccc(-c2cccc(-c3ccccc3)n2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.94
KMT2A Q03164 4/20 0.94
RAB9A P51151 1/20 0.94
ASIC3 Q9UHC3 1/20 0.65
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ADORA2A P29274 3/20 0.48
HSP90AA1 P07900 2/20 0.48
AURKA O14965 1/20 0.48
PRKACA P17612 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ADORA1 P30542 2/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
ALPL P05186 1/20 0.46

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
SCHEMBL58442 0.97 MEN1 (1.00) MEN1KMT2ARAB9AASIC3ALDH1A1
Bromide SCHEMBL10753629 0.94 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL5945940 0.94 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL16077969 0.94 MEN1 (0.94) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL18732402 0.92 MEN1 (0.89) MEN1KMT2ARAB9AASIC3ALDH1A1
Bromide SCHEMBL10757159 0.92 MEN1 (0.89) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL3631391 0.92 MEN1 (0.89) MEN1KMT2ARAB9AASIC3ALDH1A1
Hydrochloric Acid SCHEMBL4387943 0.89 KMT2A (0.84) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL23869334 0.87 MEN1 (0.80) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL28476283 0.87 MEN1 (0.80) MEN1KMT2ARAB9AASIC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632827-B2 Antitumor agents; cytotoxic toward cells in vivo, in vitro THE UNIVERSITY OF HONG KONG (HK) 2009-12-15 US claimed
US-20080166429-A1 ANTI-CANCER PHOSPHINE CONTAINING [AuIIIm(CNC)mL]n+ COMPLEXES AND DERIVATIVES THEREOF AND METHODS FOR TREATING CANCER USING SUCH COMPOSITIONS THE UNIVERSITY OF HONG KONG 2008-07-10 US claimed
US-7632827-B2 Antitumor agents; cytotoxic toward cells in vivo, in vitro THE UNIVERSITY OF HONG KONG (HK) 2009-12-15 US disclosed
US-20080166429-A1 ANTI-CANCER PHOSPHINE CONTAINING [AuIIIm(CNC)mL]n+ COMPLEXES AND DERIVATIVES THEREOF AND METHODS FOR TREATING CANCER USING SUCH COMPOSITIONS THE UNIVERSITY OF HONG KONG 2008-07-10 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-20080166429-A1 ANTI-CANCER PHOSPHINE CONTAINING [AuIIIm(CNC)mL]n+ COMPLEXES AND DERIVATIVES THEREOF AND METHODS FOR TREATING CANCER USING SUCH COMPOSITIONS NCL, NPM1, MCL1 MEN1 1660/4885KMT2A 2158/4885RAB9A 1874/4885

“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.