SCHEMBL2332797

SCHEMBL2332797

O=C(Nc1cc(C(=O)Nc2ccccc2C(=O)O)cc(C(=O)Nc2ccccc2C(=O)O)c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.77
MEN1 O00255 5/20 0.77
PKM P14618 4/20 0.77
DHODH Q02127 2/20 0.65
MAPT P10636 3/20 0.61
GRIK1 P39086 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
ABL1 P00519 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
RIN1 Q13671 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LTC4S Q16873 1/20 0.56
KCNK2 O95069 1/20 0.56

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
SCHEMBL6246433 0.90 MEN1 (0.86) KMT2AMEN1PKMDHODHMAPT
SCHEMBL30686767 0.90 MEN1 (0.86) KMT2AMEN1PKMDHODHMAPT
SCHEMBL14855642 0.89 KMT2A (0.79) KMT2AMEN1PKMDHODHMAPT
SCHEMBL414754 0.88 MEN1 (0.83) KMT2AMEN1PKMDHODHMAPT
SCHEMBL31053873 0.88 MEN1 (0.83) KMT2AMEN1PKMDHODHMAPT
SCHEMBL14855907 0.87 DHODH (0.73) KMT2AMEN1PKMDHODHMAPT
SCHEMBL2029098 0.87 MEN1 (1.00) KMT2AMEN1PKMDHODHMAPT
SCHEMBL8439303 0.87 MEN1 (0.80) KMT2AMEN1PKMDHODHMAPT
SCHEMBL15183709 0.85 KMT2A (0.77) KMT2AMEN1PKMDHODHMAPT
SCHEMBL14855554 0.85 KMT2A (0.77) KMT2AMEN1PKMDHODHMAPT

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 5 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
WO-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO 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 KMT2A 1477/4885MEN1 4601/4885PKM 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.