SCHEMBL1093667

SCHEMBL1093667

Oc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.48
THRB P10828 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 2/20 0.45
GPR3 P46089 5/20 0.44
MAPT P10636 2/20 0.39
EPHX2 P34913 1/20 0.39
KIF11 P52732 1/20 0.39
P2RX1 P51575 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.38
PIM1 P11309 1/20 0.38
ALOX12 P18054 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
SCHEMBL3711415 0.84 WDR5 (0.44) WDR5THRBALDH1A1POLBGAA
SCHEMBL24445841 0.81 GPR3 (0.48) WDR5GAAALOX15GPR3MAPT
SCHEMBL10934613 0.80 ALOX15 (0.38) WDR5THRBALDH1A1POLBGAA
SCHEMBL8418625 0.79 RAB9A (0.47) RAB9A
SCHEMBL15718212 0.78 GPR3 (0.46) WDR5THRBALDH1A1POLBGAA
SCHEMBL30018924 0.78 GPR3 (0.46) WDR5THRBALDH1A1POLBGAA
SCHEMBL13250517 0.78 GPR3 (0.46) WDR5GPR3MAPTEPHX2KIF11
SCHEMBL2097133 0.78 APP (0.49) WDR5GPR3MAPTEPHX2KIF11
SCHEMBL365669 0.77 GCGR (0.52) ALDH1A1MEN1HTTRAB9AKMT2A
SCHEMBL15512481 0.77 GAA (0.48) THRBALDH1A1POLBGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-03-04 US disclosed
CN-115677616-B Macrocyclic sulfonamide compound, preparation method and medical application thereof 中国药科大学 2024-10-18 CN disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
CN-112300192-B Nitroimidazole compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-08-11 CN disclosed
WO-2023078127-A1 MACROCYCLIC SULFONAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 中国药科大学 2023-05-11 WO disclosed
CN-115677616-A Macrocyclic sulfonamide compound, preparation method and medical application thereof 中国药科大学 2023-02-03 CN disclosed
CN-110114358-B Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2021-12-03 CN disclosed
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-10-14 US disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
EP-3560925-B1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO LTD (JP) 2021-06-02 EP disclosed
WO-1998024439-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SEVERE ANXIETY DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024443-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING BIPOLAR DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024447-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING COGNITIVE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024445-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING SCHIZOPHRENIC DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO disclosed
WO-1998013369-A1 SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1998-04-02 WO disclosed
WO-1998001450-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1998-01-15 WO disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO disclosed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP 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-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES CCR1, SSB, C5 WDR5 1165/4885THRB 1535/4885ALDH1A1 623/4885
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 WDR5 1165/4885THRB 1535/4885ALDH1A1 623/4885

“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.