SCHEMBL935587

SCHEMBL935587

Cc1cc(F)c(F)c([N+](=O)[O-])c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
GRIN2D O15399 4/20 0.40
GRIN3B O60391 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2C Q14957 4/20 0.40
GRIN3A Q8TCU5 4/20 0.40
TSHR P16473 6/20 0.38
DCTPP1 Q9H773 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL17268616 0.86 GRIN2D (0.45) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL1994831 0.84 TDP1 (0.41) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL391249 0.83 ALDH1A1 (0.43) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL10701814 0.83 ALDH1A1 (0.43) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL31569256 0.82 GRIN2D (0.41) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL32659684 0.76 ALDH1A1 (0.46) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL25786773 0.76 ALDH1A1 (0.37) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL31569422 0.76 MAPT (0.43) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL12326844 0.75 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL20810981 0.75 ALDH1A1 (0.48) ALDH1A1TDP1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117682961-A Preparation method of 4,4' -diamino-2, 2-bistrifluoromethyl biphenyl 山东省晨宏化工科技有限公司 2024-03-12 CN claimed
CN-114635037-B Method for extracting and separating trivalent lanthanide and/or trivalent actinide 浙江大学 2022-11-25 CN claimed
CN-115228417-A Synthesis device and synthesis method of m-nitrobenzotrifluoride 福建康峰新材料有限公司 2022-10-25 CN claimed
CN-113024385-B Preparation method of 2,2 '-bis (trifluoromethyl) -4, 4' -diaminobiphenyl 西安瑞联新材料股份有限公司 2022-08-16 CN claimed
CN-114635037-A Method for extracting and separating trivalent lanthanide and/or trivalent actinide 浙江大学 2022-06-17 CN claimed
CN-112458283-B Phenanthroline phosphorus oxide and method for extracting and separating trivalent lanthanide and/or actinide ions 浙江大学 2022-04-12 CN claimed
CN-113045425-A Method for preparing 2,2 '-bis (trifluoromethyl) -4, 4' -dinitrobiphenyl 天津市泰合利华材料科技有限公司 2021-06-29 CN claimed
CN-113024385-A Preparation method of 2,2 '-bis (trifluoromethyl) -4, 4' -diaminobiphenyl 西安瑞联新材料股份有限公司 2021-06-25 CN claimed
CN-111434785-B Extraction method, back extraction method, complex and extraction system 清华大学 2021-03-19 CN claimed
CN-112458283-A Phenanthroline phosphorus oxide and method for extracting and separating trivalent lanthanide and/or actinide ions 浙江大学 2021-03-09 CN claimed
CN-111434785-A Extraction method, back extraction method, complex and extraction system 清华大学 2020-07-21 CN claimed
CN-108026610-B Method for separating americium from liquid radioactive substances and separating americium from rare earth elements 俄罗斯国家原子能公司 2020-05-12 CN claimed
CN-115724745-A Preparation method of 4,4 '-diamino-2, 2' -bistrifluoromethylbiphenyl 沈阳化工研究院有限公司 2023-03-03 CN disclosed
CN-114635037-B Method for extracting and separating trivalent lanthanide and/or trivalent actinide 浙江大学 2022-11-25 CN disclosed
CN-115124430-A Synthesis process of 2,2' -bis (trifluoromethyl) diaminobiphenyl 苏利制药科技江阴有限公司 2022-09-30 CN disclosed
CN-113117376-B Phenanthroline derivative extracting agent and preparation method and application thereof 中国科学院高能物理研究所 2022-08-19 CN disclosed
WO-2011009814-A1 COMPOUNDS SUITABLE FOR USE AS ACTINIDE LIGANDS, SYNTHESIS AND USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2011-01-27 WO disclosed
CN-101891626-A Solvent-free hydrogenation reduction process with halogen nitrobenzene or without halogen nitrobenzene HONGYUN LI 2010-11-24 CN disclosed
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 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 (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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI ALDH1A1 1840/4885TDP1 1972/4885GRIN2D 1489/4885

“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.