Sugi Predict

Sugi Predict / Compounds / SCHEMBL16485332

SCHEMBL16485332

SCHEMBL16485332

c1ccc(N(c2ccncc2)c2cccc(-c3ccc4c5c(cccc35)-c3cc5ccccc5cc3-4)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK14 Q16539 3/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL16483884 0.92 TNF (0.38) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16485347 0.91 TNF (0.41) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16484655 0.91 CRHBP (0.37) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16483933 0.91 CRHBP (0.37) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL17012216 0.89 CYP11B1 (0.43) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16484086 0.89 PIK3CA (0.37) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL17012326 0.87 PIK3CA (0.41) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16485114 0.86 CYP11B1 (0.45) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16485334 0.86 CYP11B1 (0.43) TNFALDH1A1HPGDMAPTKDM4E
SCHEMBL16485364 0.86 PIK3CA (0.40) TNFALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 — — US disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 — — US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 — — US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 — — US disclosed
EP-2907803-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2015-08-19 — — EP disclosed
WO-2014057874-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT 東レ株式会社 (JP) 2014-04-17 — — WO 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-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE FMNL1, AFF2, LEF1 TNF 3654/4885ALDH1A1 1031/4885HPGD 3245/4885

“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.