SCHEMBL22804663

SCHEMBL22804663

OC1CCN(CCOc2ccc(Br)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.63
PTGS2 P35354 1/20 0.63
KDM4E B2RXH2 3/20 0.61
RECQL P46063 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 2/20 0.56
HRH2 P25021 1/20 0.56
HRH1 P35367 1/20 0.56
ACHE P22303 1/20 0.56
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.55
KDM1A O60341 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2D6 P10635 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL4689783 0.86 ESR1 (0.58) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL22804464 0.85 LTA4H (0.67) LTA4HPTGS2KDM4ERECQLTDP1
SCHEMBL12153404 0.84 LTA4H (0.63) LTA4HPTGS2HRH3HRH2HRH1
SCHEMBL14570558 0.84 HRH3 (0.66) LTA4HHRH3HRH2HRH1ACHE
SCHEMBL98426 0.84 LTA4H (0.66) LTA4HHRH3HRH2HRH1HTR1A
SCHEMBL229697 0.82 LTA4H (0.90) LTA4HPTGS2KDM4EHRH3ATM
SCHEMBL22804558 0.81 LTA4H (0.56) LTA4HPTGS2KDM4ERECQLTDP1
SCHEMBL29586876 0.81 KDM4E (0.58) LTA4HPTGS2KDM4ERECQLTDP1
SCHEMBL5116881 0.80 LTA4H (0.87) LTA4HPTGS2KDM4EHRH3ATM
SCHEMBL227976 0.80 LTA4H (0.87) LTA4HPTGS2KDM4EHRH3ATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993872-B EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2024-09-24 CN disclosed
US-20240018154-A1 NEW INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
EP-4255906-A1 NEW INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-10-11 EP disclosed
CN-116600806-A Indazole derivatives 豪夫迈·罗氏有限公司 2023-08-15 CN disclosed
WO-2022117487-A1 NEW INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-09 WO disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
CN-113993872-A EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 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 (1 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-20240018154-A1 NEW INDAZOLE DERIVATIVES CYP3A43, CYP3A4, CYP3A5 LTA4H 1652/4885PTGS2 2826/4885KDM4E 2371/4885

“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.