SCHEMBL506516

SCHEMBL506516

COc1ccc(CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
ALDH1A1 P00352 3/20 0.57
PKM P14618 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
EPHX2 P34913 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL14254916 0.85 NPC1 (0.61) HDAC6ALDH1A1PKMNPC1RAB9A
SCHEMBL18630924 0.84 NPC1 (0.55) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL28760659 0.84 NPC1 (0.55) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL18630728 0.84 NPC1 (0.55) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL18630923 0.84 NPC1 (0.55) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL140038 0.84 SMN1; SMN2 (0.67) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL181181 0.83 ALDH1A1 (0.57) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL8072288 0.82 LOXL2 (0.53) HDAC6ALDH1A1MEN1EPHX2KMT2A
SCHEMBL505546 0.81 ALDH1A1 (0.63) ALDH1A1RAB9AMEN1EPHX2KMT2A
SCHEMBL5072982 0.81 POLB (0.58) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957042-B Synthesis process of 2, 2-trifluoroacetamidine 苏州莱克施德药业有限公司 2024-06-07 CN claimed
CN-114957042-A Synthesis process of 2,2, 2-trifluoroacetamidine 苏州莱克施德药业有限公司 2022-08-30 CN claimed
CN-114957042-B Synthesis process of 2, 2-trifluoroacetamidine 苏州莱克施德药业有限公司 2024-06-07 CN disclosed
CN-114957042-B Synthesis process of 2, 2-trifluoroacetamidine 苏州莱克施德药业有限公司 2024-06-07 CN disclosed
CN-118084731-A Synthesis method of trifluoroacetamidine 上海予君生物科技发展有限公司 2024-05-28 CN disclosed
CN-114957042-A Synthesis process of 2,2, 2-trifluoroacetamidine 苏州莱克施德药业有限公司 2022-08-30 CN disclosed
CN-114957042-A Synthesis process of 2,2, 2-trifluoroacetamidine 苏州莱克施德药业有限公司 2022-08-30 CN disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
WO-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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 (3 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HDAC3 694/4885HDAC1 1188/4885HDAC4 959/4885
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 HDAC3 3829/4885HDAC1 3925/4885HDAC4 2699/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC3 1457/4885HDAC1 2361/4885HDAC4 1495/4885

“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.