SCHEMBL17945263

SCHEMBL17945263

CCc1nc2cccc3c4cc(Br)ccc4n1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NQO2 P16083 3/20 0.39
CCKBR P32239 2/20 0.38
TSPO P30536 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE4B Q07343 1/20 0.34
PTGER4 P35408 1/20 0.34
ELANE P08246 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL17945999 0.83 MEN1 (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945698 0.79 MEN1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17946062 0.77 MEN1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17946067 0.77 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945261 0.76 KMT2A (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945995 0.76 ALDH1A1 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945276 0.75 MEN1 (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945703 0.74 KDM4E (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945278 0.74 KDM4E (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17945928 0.74 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 MAPT 1252/4885MEN1 746/4885KMT2A 326/4885

“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.