SCHEMBL6720875

SCHEMBL6720875

NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(N)=O)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
PKM P14618 1/20 0.73
SIRT2 Q8IXJ6 5/20 0.67
PDCD1 Q15116 1/20 0.67
CD274 Q9NZQ7 1/20 0.67
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GFER P55789 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SUCNR1 Q9BXA5 1/20 0.52

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
SCHEMBL26388870 0.92 MEN1 (0.62) MEN1KMT2APKMSIRT2PDCD1
SCHEMBL786246 0.89 PDCD1 (0.81) MEN1KMT2APKMSIRT2PDCD1
SCHEMBL14855807 0.88 SIRT2 (0.78) MEN1KMT2APKMSIRT2PDCD1
SCHEMBL882567 0.85 MEN1 (0.76) MEN1KMT2APKMRAB9ANPC1
SCHEMBL30932523 0.85 RXFP1 (0.73) ALDH1A1LMNA
SCHEMBL4766874 0.85 RXFP1 (0.73) ALDH1A1LMNA
SCHEMBL882472 0.84 RAB9A (0.67) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2029098 0.84 MEN1 (1.00) MEN1KMT2APKMRAB9ANPC1
SCHEMBL16211079 0.84 NPC1 (0.64) PDCD1CD274RAB9ANPC1KDM4E
SCHEMBL24489084 0.83 MAPK14 (0.64) MEN1KMT2APKMSIRT2PDCD1

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-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MEN1 4601/4885KMT2A 1477/4885PKM 2456/4885

“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.