SCHEMBL18979720

SCHEMBL18979720

O=[N+]([O-])c1cc(Br)c2ncccc2c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
MAPT P10636 11/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
KDM4E B2RXH2 7/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
CTSB P07858 3/20 0.55
IDO1 P14902 2/20 0.55
TDO2 P48775 2/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CASP1 P29466 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51

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
SCHEMBL18979856 0.88 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31731538 0.81 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3189942 0.81 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9201362 0.80 CTSB (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27190087 0.79 KDM4E (0.78) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11817825 0.79 CTSB (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9201355 0.79 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14573268 0.79 MEN1 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10520193 0.79 KDM4E (0.78) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5188552 0.78 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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 (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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ALDH1A1 163/4885MAPT 1824/4885MEN1 611/4885

“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.