Sugi Predict

Sugi Predict / Compounds / SCHEMBL119351

SCHEMBL119351

SCHEMBL119351

Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.50
▸ TSHR P16473 4/20 0.50
▸ PDE2A O00408 3/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ NOS3 P29474 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL31053156 1.00 CYP3A4 (0.50) CYP3A4TSHRPDE2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6862385 0.98 ALDH1A1 (0.52) CYP3A4TSHRPDE2AALDH1A1MAPK1
SCHEMBL3908682 0.84 CYP3A4 (0.63) CYP3A4TSHRALDH1A1MAPK1KIF11
SCHEMBL9772291 0.83 TSHR (0.46) CYP3A4TSHRPDE2AALDH1A1MAPK1
SCHEMBL6691030 0.83 TSHR (0.46) CYP3A4TSHRPDE2AALDH1A1MAPK1
SCHEMBL5958724 0.83 TSHR (0.46) CYP3A4TSHRPDE2AALDH1A1MAPK1
SCHEMBL330390 0.82 ALDH1A1 (0.50) TSHRPDE2AALDH1A1MAPK1MAPT
SCHEMBL9612031 0.80 TSHR (0.48) CYP3A4TSHRPDE2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4373948 0.80 ALDH1A1 (0.48) TSHRPDE2AALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL27454522 0.80 ALDH1A1 (0.48) TSHRPDE2AALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507147-B Method for preparing 2, 6-dichloro-4-trifluoromethyl aniline 浙江巍华新材料股份有限公司 2024-03-19 — — CN claimed
CN-112851535-B Synthesis and application of novel 4,4' - (((polyhalogenated phenyl) azadiyl) bis (methylene)) dibenzoic acid 广东石油化工学院 2022-11-18 — — CN claimed
CN-114507147-A Method for preparing 2, 6-dichloro-4-trifluoromethylaniline 浙江巍华新材料股份有限公司 2022-05-17 — — CN claimed
CN-113896611-A Preparation method of 3-chloro-4-fluorobenzotrifluoride 浙江工业大学 2022-01-07 — — CN claimed
CN-113874372-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-31 — — CN claimed
CN-112851535-A Synthesis and application of novel 4, 4' - ((polyhalogenated phenyl) azadiyl) bis (methylene) dibenzoic acid 广东石油化工学院 2021-05-28 — — CN claimed
US-9061967-B2 Substituted diphenylamine compounds, preparation method and use thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2015-06-23 — — US claimed
EP-2826474-A1 USE OF SUBSTITUTED DIPHENYLAMINE COMPOUNDS IN PREPARING ANTI-TUMOUR DRUGS Sinochem Corporation (CN) 2015-01-21 — — EP claimed
US-20150011628-A1 SUBSTITUTE DIPHENYLAMINE COMPOUNDS USE THEREOF AS ANTITUMOR AGENTS SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2015-01-08 — — US claimed
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 — — EP claimed
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 — — EP claimed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 — — WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP claimed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 — — WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 — — US claimed
WO-2005100434-A1 HALOGEN CONTAINING EPOXY COMPOSITIONS AND THEIR PREPARATION UNIVERSITY OF NORTH TEXAS (US) 2005-10-27 — — WO claimed
US-20050228080-A1 Halogen containing epoxy compositions and their preparation UNIVERSITY OF NORTH TEXAS (US) 2005-10-13 — — US claimed
EP-0193390-B1 AN N-(2-CHLORO-4-TRIFLUOROMETHYLPHENYL)-3-TRIFLUOROMETHYL-BENZENESULFONAMIDE DERIVATIVE, PROCESS OF PREPARING IT AND AGRICULTURAL FUNGICIDE CONTAINING IT MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-05-04 — — EP claimed
EP-0193390-A1 An n-(2-chloro-4-trifluoromethylphenyl)-3-trifluoromethyl-benzenesulfonamide derivative, process of preparing it and agricultural fungicide containing it MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-09-03 — — EP claimed
EP-0049577-B1 ALPHA-CYANOPHENOXYBENZYLAMINE DERIVATIVES, PROCESSES FOR PREPARING THEM, AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PYRETHROID INSECTICIDES ICI AUSTRALIA LIMITED (AU) 1984-04-11 — — EP claimed

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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 CYP3A4 2560/4885TSHR 2085/4885PDE2A 1723/4885
US-20150011628-A1 SUBSTITUTE DIPHENYLAMINE COMPOUNDS USE THEREOF AS ANTITUMOR AGENTS MCL1, BRCA1, FLI1 CYP3A4 943/4885TSHR 2074/4885PDE2A 3294/4885

“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.