SCHEMBL1366485

SCHEMBL1366485

O=C(c1cc2cc(Br)cc(Br)c2[nH]c1=O)c1cc2cc(Br)cc(Br)c2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.41
MAOB P27338 5/20 0.40
XDH P47989 1/20 0.36
MAOA P21397 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL4348410 0.83 MAOB (0.42) GPR35MAOBXDHMAOAALDH1A1
SCHEMBL1370973 0.80 CNR2 (0.43) MAOBALDH1A1HPGDHSD17B10POLB
SCHEMBL2317058 0.79 ALDH1A1 (0.55) MAOBXDHALDH1A1POLBMAPT
SCHEMBL1368732 0.79 ALDH1A1 (0.43) MAOBMAOAALDH1A1POLBGRIN2D
SCHEMBL1368676 0.79 GPR35 (0.48) GPR35ALDH1A1HPGDMAPTGRIN2D
SCHEMBL24371355 0.75 CHEK1 (0.40) XDHALDH1A1HSD17B10GRIN2DGRIN3B
SCHEMBL24370887 0.74 ERN1 (0.43) XDHMAPTGRIN2DGRIN3BGRIN1
SCHEMBL1367913 0.72 GRIN2D (0.36) AKR1C4AKR1C3AKR1C2AKR1C1GRIN2D
SCHEMBL2309179 0.72 KDM4E (0.51) GPR35ALDH1A1HPGDHSD17B10POLB
SCHEMBL7410168 0.71 XDH (0.47) GPR35XDHALDH1A1HPGDAKR1C4

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 GPR35 4874/4885MAOB 2929/4885XDH 250/4885

“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.