SCHEMBL6720193

SCHEMBL6720193

O=C(O)c1cccc(C(=O)NCc2ccccc2)c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.77
APEX1 P27695 1/20 0.72
GAA P10253 2/20 0.63
HPGD P15428 2/20 0.63
LMNA P02545 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
METAP2 P50579 1/20 0.61
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
NSD2 O96028 3/20 0.60
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.58
USP2 O75604 1/20 0.57
CXCR2 P25025 1/20 0.57
SGMS2 Q8NHU3 1/20 0.56
BCL2 P10415 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
SCHEMBL1984940 0.87 KMT2A (1.00) KMT2AAPEX1GAAHPGDLMNA
SCHEMBL8635709 0.87 KMT2A (1.00) KMT2AAPEX1GAAHPGDLMNA
SCHEMBL6722874 0.87 KMT2A (0.78) KMT2AAPEX1LMNAL3MBTL1CYP1A2
SCHEMBL6722933 0.87 APEX1 (0.64) KMT2AAPEX1GAAHPGDLMNA
SCHEMBL3192733 0.86 KMT2A (0.67) KMT2AAPEX1GAAHPGDLMNA
SCHEMBL31680569 0.85 KMT2A (0.89) KMT2AAPEX1GAAHPGDLMNA
SCHEMBL11901003 0.85 KMT2A (0.89) KMT2AAPEX1GAAHPGDLMNA
SCHEMBL6722952 0.84 SORT1 (0.60) KMT2AAPEX1CYP1A2CYP2C19
SCHEMBL6723044 0.84 HPGD (0.62) KMT2AAPEX1HPGDLMNATP53
SCHEMBL7828799 0.83 KMT2A (0.77) KMT2AAPEX1GAAHPGDLMNA

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 2 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-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 1477/4885APEX1 807/4885GAA 67/4885

“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.