SCHEMBL5080930

SCHEMBL5080930

c1ccc(Nc2cc(Nc3ccccc3)c(Nc3ccccc3)cc2Nc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.65
ALDH1A1 P00352 10/20 0.61
TDP1 Q9NUW8 7/20 0.61
MAPK1 P28482 3/20 0.61
ALOX15 P16050 3/20 0.61
TSHR P16473 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
ALOX12 P18054 2/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
PTGS2 P35354 1/20 0.61
HTR2B P41595 1/20 0.61
MAPT P10636 8/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
AR P10275 1/20 0.60
GAA P10253 6/20 0.59
KDM4E B2RXH2 5/20 0.59
GLA P06280 2/20 0.59
RECQL P46063 1/20 0.59

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
SCHEMBL3766360 0.86 MAPT (0.64) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL444976 0.84 MAPT (0.70) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL1712834 0.84 GAA (0.55) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL11813158 0.82 HSD17B10 (0.50) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL30431584 0.82 MAPT (0.54) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL25129316 0.82 ALDH1A1 (0.64) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL5080900 0.82 MAPT (0.64) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL15131708 0.82 GAA (0.58) HSD17B10ALDH1A1TDP1MAPK1ALOX15
Hydrochloric Acid SCHEMBL9797327 0.80 MAPT (0.61) HSD17B10ALDH1A1TDP1MAPK1ALOX15
SCHEMBL4294442 0.80 HSD17B10 (0.48) HSD17B10ALDH1A1TDP1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032992-B2 Compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
US-10032992-B2 Compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-07-24 US disclosed
US-20140361224-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-12-11 US disclosed
US-20140361224-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-12-11 US disclosed
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 EP disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 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-20140361224-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, BRSK1, ERG HSD17B10 3925/4885ALDH1A1 1879/4885TDP1 2691/4885
US-10032992-B2 Compounds for organic electroluminescent devices OR10J3, BRSK1, ERG HSD17B10 3925/4885ALDH1A1 1879/4885TDP1 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.