SCHEMBL1367680

SCHEMBL1367680

O=C(C(=O)c1cc2cc(I)ccc2oc1=O)c1cc2cc(I)ccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
MAOB P27338 9/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
KDM4E B2RXH2 5/20 0.51
CA1 P00915 4/20 0.51
CA6 P23280 4/20 0.51
CA7 P43166 4/20 0.51
CA14 Q9ULX7 4/20 0.51
CA5B Q9Y2D0 4/20 0.51
GPR35 Q9HC97 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CA5A P35218 3/20 0.51
CYP1A2 P05177 2/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51

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
SCHEMBL1367822 0.90 MAOB (0.54) MAOAMAOBCA12CA9KDM4E
SCHEMBL980099 0.88 MAOA (0.69) MAOAMAOBCA12CA9KDM4E
SCHEMBL1368479 0.85 TSHR (0.51) MAOAMAOBCA12CA9KDM4E
SCHEMBL25213073 0.79 MAOB (0.74) MAOAMAOBCA12CA9KDM4E
SCHEMBL1368563 0.79 KDM4E (0.79) MAOAMAOBCA12CA9KDM4E
SCHEMBL1367996 0.79 GRIN1 (0.79) MAOACA12CA9KDM4EGPR35
SCHEMBL34468463 0.77 MAOB (0.77) MAOAMAOBCA12CA9KDM4E
SCHEMBL11625410 0.75 ADAM17 (0.46) MAOACA12CA9CA1CA6
SCHEMBL14841613 0.75 GPR35 (0.63) MAOAMAOBCA12CA9KDM4E
SCHEMBL830825 0.72 RXFP1 (0.51) CA12CA9KDM4ECA1CA2

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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS MAOA 3570/4885MAOB 2929/4885CA12 4005/4885

“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.