SCHEMBL294231

SCHEMBL294231

[NH]c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 3/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFKB1 P19838 1/20 0.42
IDO1 P14902 2/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
PDK2 Q15119 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL5542993 0.79 ALDH1A1 (0.35) ALDH1A1HPGDTDP1POLBL3MBTL1
SCHEMBL63469 0.78 ALDH1A1 (0.52) ALDH1A1GAALMNATDP1POLB
SCHEMBL29441997 0.78 ALDH1A1 (0.52) ALDH1A1GAALMNATDP1POLB
SCHEMBL6157191 0.77 HSD11B1 (0.40) ALDH1A1HPGDGAALMNATDP1
Hydrogen Sulfide SCHEMBL28274662 0.76 ALDH1A1 (0.50) ALDH1A1GAALMNATDP1POLB
SCHEMBL8830114 0.75 TAS2R14 (0.40) ALDH1A1HPGDTDP1POLBL3MBTL1
SCHEMBL5486293 0.74 GAA (0.45) ALDH1A1HPGDGAALMNATDP1
Iodide SCHEMBL29093541 0.73 ALDH1A1 (0.48) ALDH1A1GAALMNATDP1POLB
Bromide SCHEMBL29093546 0.73 ALDH1A1 (0.48) ALDH1A1GAALMNATDP1POLB
SCHEMBL11227825 0.72 ALDH1A1 (0.43) ALDH1A1GAALMNATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 EP claimed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 US claimed
CN-105611930-B Spiro quinoxaline derivatives as non-apoptotic regulated cell death inhibitors 亥姆霍兹慕尼黑中心-德国环境与健康研究中心(股份有限公司) 2021-03-02 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 US claimed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 US claimed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 US claimed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 US claimed
EP-3021847-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-25 EP claimed
WO-2015007730-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2015-01-22 WO claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 US claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-4578346-A POLYMERIC AND NON-POLYMERIC COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1986-03-25 US 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 (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-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ALDH1A1 3830/4885HPGD 588/4885GAA 1605/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ALDH1A1 3845/4885HPGD 570/4885GAA 1609/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ALDH1A1 3830/4885HPGD 588/4885GAA 1605/4885

“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.