SCHEMBL642822

SCHEMBL642822

NC(=NO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
KMT2A Q03164 2/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
MAPK1 P28482 2/20 0.49
GRIN2B Q13224 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SRD5A2 P31213 1/20 0.47
TSHR P16473 1/20 0.47
CTSL P07711 2/20 0.47
MEN1 O00255 1/20 0.46
CTSB P07858 1/20 0.46
PTGS1 P23219 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL31011141 1.00 CES2 (0.56) CES2KMT2AHTR3EHTR3BHTR3A
SCHEMBL29463546 1.00 CES2 (0.56) CES2KMT2AHTR3EHTR3BHTR3A
SCHEMBL642821 1.00 CES2 (0.56) CES2KMT2AHTR3EHTR3BHTR3A
SCHEMBL16043416 0.81 ACHE (0.50)
SCHEMBL16043421 0.81 ACHE (0.50)
SCHEMBL17134217 0.80 CES2 (0.64) CES2HTR3EHTR3BHTR3AHTR3D
SCHEMBL15229092 0.80 CES2 (0.50) CES2KMT2AHTR3EHTR3BHTR3A
SCHEMBL627579 0.80 CES2 (0.50) CES2KMT2AHTR3EHTR3BHTR3A
SCHEMBL28216626 0.80 KMT2A (0.59) CES2KMT2AHTR3EHTR3BHTR3A
SCHEMBL745694 0.78 CES2 (0.56) CES2KMT2AHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783989-B1 FOR CHEMICAL WARFARE AGENTS AND PESTICIDES; CHOLINESTERASE INHIBITORS PHYSICAL SCIENCES, INC. 2004-08-31 US claimed
EP-4624465-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2025-10-01 EP disclosed
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
WO-2024111560-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE 日本新薬株式会社 2024-05-30 WO disclosed
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 CN disclosed
CN-112300145-B Tri-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof 上海宇耀生物科技有限公司 2023-07-21 CN disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-0758315-B1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1998-08-26 EP disclosed
CN-1177351-A Hydroxylamine derivatives for enhancing the production of molecular chaperones and preparation thereof BIOREX KUTAO RESEARCH & DEV CO (HU) 1998-03-25 CN disclosed
EP-0801649-A2 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-10-22 EP disclosed
CN-1151728-A Hydroximic acid derivatives, pharmaceutical compositions containing them and process for preparing same BIOREX KUTATO FEJLESZTOE KFT (HU) 1997-06-11 CN disclosed
WO-1997016439-A1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF Biorex Kutató és Fejlesztó Rt. (HU) 1997-05-09 WO disclosed
EP-0758315-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-02-19 EP disclosed
WO-1995030649-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1995-11-16 WO disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed
US-4016170-A TRANQUILIZERS, SLEEP INDUCERS SANDOZ, INC. (US) 1977-04-05 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-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP CES2 4767/4885KMT2A 4290/4885HTR3E 4649/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CES2 1241/4885KMT2A 232/4885HTR3E 1525/4885

“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.