SCHEMBL6759892

SCHEMBL6759892

O=c1nc(-c2cc(Cl)ccc2O)oc2c(Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 1/20 0.39
PRKDC P78527 1/20 0.39
MAPT P10636 4/20 0.39
TTR P02766 3/20 0.38
AHR P35869 1/20 0.38
C1R P00736 3/20 0.37
THRB P10828 1/20 0.37
KDM6B O15054 1/20 0.37
KDM6A O15550 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6759895 0.82 MAPT (0.45) HPGDMAPTC1RTHRBKDM6B
SCHEMBL6762328 0.79 MAOA (0.48) KDM4EALDH1A1MAPTTTRTHRB
SCHEMBL5842491 0.74 MAOA (0.51) HPGDKDM4EHSD17B10PIK3CDPRKDC
SCHEMBL6469733 0.71 MAOA (0.49) HPGDKDM4EALDH1A1MAPTAHR
SCHEMBL6469479 0.71 MAOA (0.59) HPGDKDM4EALDH1A1MAPTC1R
SCHEMBL5777971 0.71 ELANE (0.46) KDM4EALDH1A1MAPTC1RMEN1
SCHEMBL13522796 0.70 KDM6B (0.73) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL21822446 0.69 CYP3A4 (0.51) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL16203168 0.69 KDM6B (0.67) HPGDKDM4EGAAMAPTKDM6B
SCHEMBL13522992 0.67 NPC1 (0.61) HPGDKDM4EALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723742-B2 TREATMENT OF DISEASES WHICH CAUSE EXCESS OF IRON IN HUMAN OR ANIMAL BODY OR ARE CAUSED BY IT NOVARTIS AG. (CH) 2004-04-20 US disclosed
US-20030203954-A1 Substituted 3, 5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators LATTMANN RENE (CH) 2003-10-30 US disclosed
US-6596750-B2 Compounds have useful pharmaceutical properties and are particularly active as iron chelators. They can be used for the treatment of iron overload in warm-blooded animals. NOVARTIS AG (CH) 2003-07-22 US disclosed
US-20030069273-A1 Substituted 3,5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators LATTMANN RENE (CH) 2003-04-10 US disclosed
EP-0914118-B1 SUBSTITUTED 3,5-DIPHENYL-1,2,4-TRIAZOLES AND THEIR USE AS PHARMACEUTICAL METAL CHELATORS NOVARTIS AG (CH) 2002-10-23 EP disclosed
US-6465504-B1 Substituted 3,5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators NOVARTIS AG (CH) 2002-10-15 US disclosed
EP-0914118-A1 SUBSTITUTED 3,5-DIPHENYL-1,2,4-TRIAZOLES AND THEIR USE AS PHARMACEUTICAL METAL CHELATORS Novartis AG (CH) 1999-05-12 EP disclosed
WO-1997049395-A1 SUBSTITUTED 3,5-DIPHENYL-1,2,4-TRIAZOLES AND THEIR USE AS PHARMACEUTICAL METAL CHELATORS NOVARTIS-ERFINDUNGEN VERWALTUNGSGESELLSCHAFT M.B.H. (AT) 1997-12-31 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 (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-20030069273-A1 Substituted 3,5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators TFRC, SLC40A1, FECH HPGD 1518/4885KDM4E 2019/4885ALDH1A1 48/4885
US-20030203954-A1 Substituted 3, 5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators TFRC, SLC40A1, FECH HPGD 1518/4885KDM4E 2019/4885ALDH1A1 48/4885

“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.