SCHEMBL1368975

SCHEMBL1368975

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HRH4 Q9H3N8 1/20 0.43
AKR1B1 P15121 1/20 0.42
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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) HSD17B10GAAGRIN2DGRIN3BGRIN1
SCHEMBL2315591 0.79 ALDH1A1 (0.55) GAAKDM4EALDH1A1ALOX15POLB
SCHEMBL1367967 0.72 DAO (0.65) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL829912 0.72 AKR1B1 (0.51) HSD17B10GAAGRIN2DGRIN3BGRIN1
SCHEMBL2310258 0.72 KDM4E (0.51) HSD17B10GAAKDM4EALDH1A1HRH4
SCHEMBL3274871 0.71 HRH4 (0.56) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1091709 0.71 HRH4 (0.56) HSD17B10GAAGRIN2DGRIN3BGRIN1
SCHEMBL14126747 0.71 DYRK1A (0.46) HSD17B10GAAKDM4EALDH1A1HPGD
SCHEMBL1367893 0.70 HRH4 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29062685 0.70 HRH4 (0.55) HSD17B10GAAGRIN2DGRIN3BGRIN1

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 HSD17B10 484/4885GAA 1518/4885GRIN2D 4606/4885

“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.