SCHEMBL6724322

SCHEMBL6724322

CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
CHKA P35790 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTR7 P34969 2/20 0.40
NR3C2 P08235 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6723528 1.00 PTGS2 (0.45) PTGS2CHKATAAR1MEN1KMT2A
SCHEMBL6723877 0.98 PTGS2 (0.47) PTGS2CHKATAAR1MEN1KMT2A
SCHEMBL6723739 0.95 PTGS2 (0.45) PTGS2CHKAMEN1KMT2ASMN1; SMN2
SCHEMBL27270319 0.93 PTGS2 (0.44) PTGS2CHKAMEN1KMT2ASMN1; SMN2
SCHEMBL6723957 0.91 ALDH1A1 (0.50) CHKATAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL6723671 0.91 ALDH1A1 (0.50) CHKATAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL6723783 0.91 ALDH1A1 (0.50) CHKATAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL12249883 0.91 ALDH1A1 (0.50) CHKATAAR1MEN1KMT2ASMN1; SMN2
SCHEMBL6723990 0.90 MEN1 (0.43) PTGS2CHKATAAR1MEN1KMT2A
SCHEMBL6723811 0.89 PDK2 (0.43) PTGS2CHKATAAR1MEN1KMT2A

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-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 PTGS2 1867/4885CHKA 4185/4885TAAR1 551/4885

“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.