SCHEMBL126441

SCHEMBL126441

CCc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
RIPK1 Q13546 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DAO P14920 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL16257975 0.84 PDE3B (0.42) TRPA1ALDH1A1HTTRIPK1LMNA
SCHEMBL15471661 0.82 LMNA (0.47) TRPA1ALDH1A1CYP1A2CYP2A6TAAR1
SCHEMBL16258055 0.81 CYP17A1 (0.56) TAAR1LMNACYP17A1CYP11B1CYP11B2
SCHEMBL16258028 0.81 CYP17A1 (0.56) TAAR1LMNACYP17A1CYP11B1CYP11B2
SCHEMBL12154152 0.81 CYP17A1 (0.56) TAAR1LMNACYP17A1CYP11B1CYP11B2
SCHEMBL530305 0.80 CNR1 (0.48) ALDH1A1HTTRIPK1MAOAMAOB
SCHEMBL10240551 0.80 TRPA1 (0.43) TRPA1ALDH1A1HTTCYP1A2CYP2A6
SCHEMBL6953517 0.80 SLC6A2 (0.45) TRPA1CYP1A2CYP2A6TAAR1LMNA
SCHEMBL7712089 0.80 DAO (0.45) TRPA1ALDH1A1CYP1A2CYP2A6TAAR1
SCHEMBL8205755 0.80 TRPA1 (0.43) TRPA1ALDH1A1HTTCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 US claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 US claimed
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-6677452-B1 PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE LION BIOSCIENCE AG (DE) 2004-01-13 US claimed
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP claimed
EP-1218343-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO claimed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2024143514-A1 PURIFICATION METHOD AND PRODUCTION METHOD OF CYCLIC PEPTIDE 中外製薬株式会社 2024-07-04 WO disclosed
WO-2024138211-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. (US) 2024-06-27 WO disclosed
WO-1990004623-A1 MATRIX LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed
EP-0285324-A1 Preparation of substituted fluorobenzenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-05 EP disclosed
US-4754084-A PYROLYSIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-28 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-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TRPA1 3778/4885ALDH1A1 3200/4885HTT 1072/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TRPA1 3778/4885ALDH1A1 3200/4885HTT 1072/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TRPA1 3778/4885ALDH1A1 3200/4885HTT 1072/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 TRPA1 4791/4885ALDH1A1 477/4885HTT 2509/4885

“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.