SCHEMBL16639875

SCHEMBL16639875

NC(=O)c1cc(Br)c(NC=O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
KDM5A P29375 2/20 0.34
DGAT1 O75907 1/20 0.33
SYK P43405 1/20 0.32
MAP2K1 Q02750 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16644420 0.78 DGAT1 (0.46) ERN1DGAT1MAP2K1KDM4EALDH1A1
SCHEMBL10082578 0.74 DGAT1 (0.51) ERN1KDM5ADGAT1MAP2K1KDM4E
SCHEMBL13618755 0.74 DGAT1 (0.47) ERN1KDM5ADGAT1MAP2K1KDM4E
SCHEMBL17540395 0.71 DGAT1 (0.41) ERN1KDM5ADGAT1SYKMAP2K1
SCHEMBL11781857 0.70 CA12 (0.53) ERN1DGAT1MAP2K1KDM4EGLA
SCHEMBL2612359 0.68 KDM4E (0.58) KDM4EALDH1A1GAANPC1TP53
SCHEMBL7806435 0.68 KDM5A (0.45) ERN1KDM5ASYKKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7425418 0.67 KDM4E (0.57) KDM4EALDH1A1GAANPC1TP53
Hydrochloric Acid SCHEMBL7424567 0.67 KDM4E (0.57) KDM4EALDH1A1GAANPC1TP53
SCHEMBL17540401 0.67 KDM5A (0.33) ERN1KDM5ADGAT1SYKMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256720-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2017-09-07 US disclosed
US-20160380205-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND KYULUX, INC. (JP) 2016-12-29 US disclosed
US-9502668-B2 Organic light-emitting device, and light-emitting material and compound used therefor KYULUX, INC. (JP) 2016-11-22 US disclosed
US-20150105564-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2015-04-16 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-20170256720-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR CRY1, WEE1, OR51E2 ERN1 3745/4885KDM5A 3357/4885DGAT1 3443/4885
US-20160380205-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND CRY1, CRY2, GLB1 ERN1 1490/4885KDM5A 4425/4885DGAT1 4246/4885

“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.