SCHEMBL6723985

SCHEMBL6723985

CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CHKA P35790 2/20 0.38
PTGS2 P35354 1/20 0.37
TACR1 P25103 1/20 0.37
HTR7 P34969 2/20 0.37
PTPN1 P18031 1/20 0.36
CES1 P23141 1/20 0.36
PSMB5 P28074 2/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL13826147 1.00 TAAR1 (0.39) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6723970 1.00 TAAR1 (0.39) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6723824 1.00 TAAR1 (0.39) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6723582 0.96 CHKA (0.41) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27458916 0.94 TAAR1 (0.36) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14465464 0.93 ALDH1A1 (0.38) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6724358 0.92 PTGS2 (0.39) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6723800 0.92 PTGS2 (0.39) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6723411 0.92 PTPN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1CHKA
SCHEMBL27498154 0.90 PTPN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1CHKA

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 TAAR1 551/4885MEN1 974/4885KMT2A 1322/4885

“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.