Sugi Predict

Sugi Predict / Compounds / SCHEMBL3354917

SCHEMBL3354917

SCHEMBL3354917

O=[N+]([O-])c1ccccc1N(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ S100A4 P26447 1/20 0.40

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
SCHEMBL11565380 0.86 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL29669355 0.83 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL28193317 0.83 HSD17B10 (0.45) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL8066554 0.83 HSD17B10 (0.45) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL29220813 0.80 ALDH1A1 (0.47) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL30704256 0.80 ALDH1A1 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL6048773 0.80 ALDH1A1 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL5410066 0.79 ALDH1A1 (0.55) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL4725428 0.79 MAPT (0.44) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL27661939 0.79 MAPT (0.44) HSD17B10TDP1ALDH1A1KMT2AMEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740478-B1 FUSED IMIDAZOLE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2023-11-01 — — EP disclosed
CN-111601799-B Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2023-06-09 — — CN disclosed
US-11472794-B2 Fused imidazole derivatives as IL-17 modulators UCB Biopharma SRL (BE) 2022-10-18 — — US disclosed
US-20210053952-A1 Fused Imidazole Derivatives as IL-17 Modulators UCB Biopharma SRL (BE) 2021-02-25 — — US disclosed
EP-3740478-A1 FUSED IMIDAZOLE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-11-25 — — EP disclosed
EP-3717483-A1 PYRAZOLOPYRIDINONE COMPOUNDS Janssen Pharmaceutica NV (BE) 2020-10-07 — — EP disclosed
EP-3713941-A1 PYRAZOLOPYRIDINONE COMPOUNDS Janssen Pharmaceutica NV (BE) 2020-09-30 — — EP disclosed
CN-111601799-A Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2020-08-28 — — CN disclosed
WO-2019101183-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-05-31 — — WO disclosed
WO-2019101182-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-05-31 — — WO disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 — — EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 — — US disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 — — EP disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 — — EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 — — WO disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 — — WO disclosed
EP-1019720-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 2000-07-19 — — EP disclosed
WO-1998027427-A1 COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 — — 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 (3 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-11472794-B2 Fused imidazole derivatives as IL-17 modulators IL17A, IL2, IL23R HSD17B10 1070/4885TDP1 3535/4885ALDH1A1 1807/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 HSD17B10 948/4885TDP1 1283/4885ALDH1A1 1905/4885
US-20210053952-A1 Fused Imidazole Derivatives as IL-17 Modulators IL17A, IL2, IL23R HSD17B10 1070/4885TDP1 3535/4885ALDH1A1 1807/4885

“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.