SCHEMBL6722933

SCHEMBL6722933

O=C(O)c1cccc(C(=O)NCc2ccc(Cl)cc2)c1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.64
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 3/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.57
POLA1 P09884 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
EGLN1 Q9GZT9 1/20 0.55
MEN1 O00255 1/20 0.53
MCL1 Q07820 1/20 0.50
MT-CO2 P00403 1/20 0.50

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
SCHEMBL6720193 0.87 KMT2A (0.77) APEX1LMNAKMT2AGAAHPGD
SCHEMBL6722874 0.85 KMT2A (0.78) APEX1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL6722818 0.84 HPGD (0.52) APEX1ALDH1A1LMNAKMT2AGAA
SCHEMBL6722952 0.81 SORT1 (0.60) APEX1KMT2ACYP1A2CYP2C19
SCHEMBL6723044 0.81 HPGD (0.62) APEX1ALDH1A1LMNAKMT2AHPGD
SCHEMBL6358889 0.80 ALDH1A1 (0.65) APEX1ALDH1A1LMNAKMT2AGAA
SCHEMBL12697363 0.78 KMT2A (0.71) APEX1ALDH1A1LMNAKMT2AHTT
SCHEMBL4182426 0.77 ALDH1A1 (0.62) APEX1ALDH1A1LMNAKMT2AGAA
SCHEMBL14727423 0.77 ALDH1A1 (0.73) APEX1ALDH1A1LMNAKMT2AGAA
SCHEMBL10649706 0.77 ALDH1A1 (0.62) APEX1ALDH1A1LMNAKMT2AGAA

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 APEX1 807/4885ALDH1A1 265/4885LMNA 3013/4885

“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.