SCHEMBL1955845

SCHEMBL1955845

O=C(O)c1cc(NC(=O)c2cccc3ccccc23)c(C(=O)O)cc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.78
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
SLC16A3 O15427 1/20 0.61
KDM4E B2RXH2 2/20 0.59
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.59
EP300 Q09472 1/20 0.59
PRMT1 Q99873 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RAB9A P51151 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 3/20 0.57
MMP3 P08254 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SOS1 Q07889 1/20 0.57
DEGS1 O15121 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
SCHEMBL9281809 0.89 GFER (0.76) GFERNR4A1NR4A2NR4A3SLC16A3
SCHEMBL1954449 0.88 GFER (0.80) GFERNR4A1NR4A2NR4A3SLC16A3
SCHEMBL1310079 0.87 GFER (0.78) GFERNR4A1NR4A2NR4A3SLC16A3
SCHEMBL1307732 0.86 GFER (0.76) GFERNR4A1NR4A2NR4A3SLC16A3
SCHEMBL5475049 0.86 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.74) GFERNR4A1NR4A2NR4A3SLC16A3
SCHEMBL1308632 0.86 GRIK1 (0.72) GFERSLC16A3KDM4EALDH1A1HSD17B10
SCHEMBL14413339 0.86 GFER (0.76) GFERNR4A1NR4A2NR4A3SLC16A3
SCHEMBL1308410 0.86 GFER (0.76) GFERSLC16A3KDM4EALDH1A1HSD17B10
SCHEMBL21275460 0.83 RAB9A (0.76) GFERSLC16A3KDM4EH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300
SCHEMBL6350942 0.82 GFER (0.70) GFERNR4A1NR4A2NR4A3SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332529-A1 Substituted aromatic diamines as ligands of vesicular glutamate transporter 1 and 2 (vGLUT1 and vGLUT2) Grünenthal GmbH (DE) 2011-06-15 EP claimed
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
EP-2332529-A1 Substituted aromatic diamines as ligands of vesicular glutamate transporter 1 and 2 (vGLUT1 and vGLUT2) Grünenthal GmbH (DE) 2011-06-15 EP 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 GFER 3067/4885NR4A1 1599/4885NR4A2 2830/4885

“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.