Sugi Predict

Sugi Predict / Compounds / SCHEMBL696354

SCHEMBL696354

SCHEMBL696354

Cc1cc([N+](=O)[O-])ccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.60
▸ TSHR P16473 4/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CYP3A4 P08684 3/20 0.56
▸ PDE7A Q13946 2/20 0.47
▸ ACHE P22303 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ABCC8 Q09428 1/20 0.43
▸ KCNJ11 Q14654 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CRHBP P24387 1/20 0.43

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
SCHEMBL30362286 1.00 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL22342669 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL447382 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL29618188 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL589254 0.85 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL10176626 0.83 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL10988748 0.82 HSPB1 (0.53) ALDH1A1TSHRTDP1ACHEHSD17B10
SCHEMBL1999857 0.82 PDE7A (0.54) ALDH1A1TSHRTDP1PDE7AHSD17B10
SCHEMBL21398693 0.80 MEN1 (0.53) ALDH1A1TSHRTDP1CYP3A4PDE7A
SCHEMBL8147133 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTDP1PDE7ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081918-A A kind of polyimides comb copolymer and preparation method as electronic material substrate 成都市水泷头化工科技有限公司 2018-12-25 — — CN claimed
CN-108864454-A A kind of electronic device high transparency, high flexibility Kapton and preparation method 成都市水泷头化工科技有限公司 2018-11-23 — — CN claimed
CN-110698459-B 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors 奇斯药制品公司 2023-05-05 — — CN disclosed
CN-110698459-A 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors 奇斯药制品公司 2020-01-17 — — CN disclosed
EP-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 — — EP disclosed
EP-2928869-B1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2019-02-20 — — EP disclosed
CN-109081918-A A kind of polyimides comb copolymer and preparation method as electronic material substrate 成都市水泷头化工科技有限公司 2018-12-25 — — CN disclosed
CN-108864454-A A kind of electronic device high transparency, high flexibility Kapton and preparation method 成都市水泷头化工科技有限公司 2018-11-23 — — CN disclosed
US-9944612-B2 1-phenyl-2-pyridinyl alkyl alcohol derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-17 — — US disclosed
US-9944612-B2 1-phenyl-2-pyridinyl alkyl alcohol derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-17 — — US disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 — — US disclosed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 — — EP disclosed
CN-101337892-A Method for preparing 2-brom-5-nitrobenzotrifluoride WUYI TIANDA PREC CHEMICAL HIGH (CN) 2009-01-07 — — CN disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 — — US disclosed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 — — WO disclosed
CN-1878554-A 1-benzoyl-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-13 — — CN disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 — — US disclosed
CN-1041931-C [1,2,4]triazolo[4,3-a]quinoxaline compounds, their preparation and use NOVO NORDISK AS (DK) 1999-02-03 — — CN disclosed
CN-1188757-A N-(dinitro trifluoro methyl)-substituted-2-methylaniline derivant, preparation method and use SHANGHAI INST ORGANIC CHEM (CN) 1998-07-29 — — CN disclosed
CN-1125446-A [1,2,4]triazolo[4,3-a]quinoxaline compounds, their preparation and use NOVO NORDISK AS (DK) 1996-06-26 — — CN 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-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 ALDH1A1 395/4885TSHR 4468/4885TDP1 1482/4885

“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.