SCHEMBL7979654

SCHEMBL7979654

O=C1c2ccccc2C(=O)c2c(NC(C(=O)O)c3cc4ccccc4s3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
EGFR P00533 1/20 0.42
MAPT P10636 1/20 0.42
PABPC1 P11940 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKLR P30613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 3/20 0.38
CYP1A2 P05177 3/20 0.38
PTGES O14684 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL840730 0.79 OPRM1 (0.43) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1696290 0.77 BCL2L1 (0.46) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL2951566 0.74 ALOX5 (0.41) MAPTRAB9AALOX5CYP1A2PTGES
SCHEMBL10426956 0.70 MAOA (0.60) MAOAL3MBTL1EGFRMAPTPABPC1
SCHEMBL2953245 0.69 TACR1 (0.43) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL3630000 0.68 BCL2L1 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1579295 0.66 BCL2L1 (0.53) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL27984229 0.66 PPARG (0.53) MAOAL3MBTL1EGFRMAPTPABPC1
SCHEMBL27983863 0.65 MAOA (0.54) MAOAL3MBTL1EGFRMAPTPABPC1
SCHEMBL5542170 0.65 ALOX5 (0.57) ALOX5CYP1A2PTGESLMNALTA4H

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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 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 (2 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MAOA 167/4885L3MBTL1 3907/4885EGFR 2691/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MAOA 167/4885L3MBTL1 3907/4885EGFR 2691/4885

“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.