SCHEMBL1950607

SCHEMBL1950607

O=C(O)/C=C/c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.51
MIF P14174 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
NFKB1 P19838 1/20 0.47
MAOB P27338 5/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
APP P05067 1/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
ESR1 P03372 1/20 0.41
P4HB P07237 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL1950609 1.00 TDO2 (0.51) TDO2MIFCYP1A1CYP1B1NFKB1
SCHEMBL1953432 0.88 TDO2 (0.53) TDO2MIFCYP1A1CYP1B1NFKB1
SCHEMBL1953433 0.88 TDO2 (0.53) TDO2MIFCYP1A1CYP1B1NFKB1
SCHEMBL5558138 0.85 CYP1A1 (0.47) TDO2CYP1A1CYP1B1NFKB1MAOB
SCHEMBL3214998 0.85 CYP1A1 (0.47) CYP1A1CYP1B1NFKB1MAOBKDM4E
SCHEMBL5558135 0.85 CYP1A1 (0.47) TDO2CYP1A1CYP1B1NFKB1MAOB
SCHEMBL3215005 0.85 CYP1A1 (0.47) CYP1A1CYP1B1NFKB1MAOBKDM4E
SCHEMBL4783571 0.83 CES2 (0.50) MIFCYP1A1CYP1B1NFKB1MAOB
SCHEMBL6046317 0.83 MIF (0.63) MIFCYP1A1CYP1B1NFKB1MAOB
SCHEMBL6046318 0.83 MIF (0.63) MIFCYP1A1CYP1B1NFKB1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 US disclosed
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 EP disclosed
CN-119790041-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-04-08 CN disclosed
US-20250019380-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-01-16 US disclosed
EP-4370124-A1 PI3Ka INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-05-22 EP disclosed
CN-117881683-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2024-04-12 CN disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 CN disclosed
WO-2024008166-A1 α,β-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2024-01-11 WO disclosed
WO-2023288242-A1 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
WO-2023288242-A1 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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 (4 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-20250019380-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD TDO2 4648/4885MIF 2595/4885CYP1A1 4038/4885
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM TDO2 4781/4885MIF 6/4885CYP1A1 3766/4885
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 TDO2 600/4885MIF 4185/4885CYP1A1 28/4885
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA TDO2 4575/4885MIF 3477/4885CYP1A1 982/4885

“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.