Sugi Predict

Sugi Predict / Compounds / SCHEMBL445852

SCHEMBL445852

SCHEMBL445852

Nc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.54
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAOB P27338 2/20 0.39
▸ PTGS1 P23219 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 2/20 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
SCHEMBL8733113 0.88 KIF11 (0.59) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL8176042 0.84 KIF11 (0.50) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL7072713 0.83 KIF11 (0.54) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL7080175 0.83 KIF11 (0.54) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL6900832 0.82 KIF11 (0.48) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL447473 0.82 KIF11 (0.48) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL7078537 0.81 KIF11 (0.52) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL7076981 0.81 KIF11 (0.52) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL17817842 0.81 KIF11 (0.52) KIF11MAPTMEN1KMT2AALDH1A1
SCHEMBL4982243 0.80 KIF11 (0.46) KIF11MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585665-B Triazine ring-containing polymer and film-forming composition containing same 日产化学株式会社 2024-11-12 — — CN disclosed
US-20240287081-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2024-08-29 — — US disclosed
CN-117279999-A Composition for forming film 日产化学株式会社 2023-12-22 — — CN disclosed
US-11795270-B2 Triazine ring-containing polymer and film forming composition containing same NISSAN CHEMICAL CORPORATION (JP) 2023-10-24 — — US disclosed
WO-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 — — WO disclosed
US-20220396666-A1 TRIAZINE RING-CONTAINING POLYMER AND FILM FORMING COMPOSITION CONTAINING SAME NISSAN CHEMICAL CORPORATION (JP) 2022-12-15 — — US disclosed
WO-2022225003-A1 FILM-FORMING COMPOSITION 日産化学株式会社 2022-10-27 — — WO disclosed
EP-4050057-A1 TRIAZINE RING-CONTAINING POLYMER AND FILM-FORMING COMPOSITION CONTAINING SAME Nissan Chemical Corporation (JP) 2022-08-31 — — EP disclosed
CN-114585665-A Triazine ring-containing polymer and film-forming composition containing the same 日产化学株式会社 2022-06-03 — — CN disclosed
WO-2021079991-A1 TRIAZINE RING-CONTAINING POLYMER AND FILM-FORMING COMPOSITION CONTAINING SAME 日産化学株式会社 2021-04-29 — — WO disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US disclosed
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 — — EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 — — US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 — — WO disclosed
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 — — EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 — — WO disclosed
US-5236940-A Administering for treatment of medical conditions associated with the effects of glutamate; glutamate-induced convulsions; schizophrenia; sleep disorders RHONE-POULENC SANTE (FR) 1993-08-17 — — US disclosed
US-5008280-A Treatment of glutamate-induced convulsions, schizophrenia RHONE-POULENC SANTE (FR) 1991-04-16 — — US disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 — — US disclosed
US-4212647-A Water-insoluble azo dyestuffs which are derivatives of 1-aryl-3-trifluoromethyl-5-pyrazolones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-07-15 — — 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 (2 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KIF11 4771/4885MAPT 4734/4885MEN1 1464/4885
US-20240287081-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF PPARD, PFAS, FOLR2 KIF11 2089/4885MAPT 3909/4885MEN1 3086/4885

“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.