SCHEMBL5011306

SCHEMBL5011306

OC(c1ccc(-c2ccc(Br)cc2)cc1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HMOX1 P09601 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SYK P43405 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALOX15 P16050 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 4/20 0.33

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
SCHEMBL4498309 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1HMOX1SLC6A2SLC6A4
SCHEMBL11578 0.93 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL4989494 0.93 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL2131604 0.93 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL28275254 0.80 CYP3A4 (0.49) ALDH1A1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL11602636 0.78 CYP2A6 (0.50) ALDH1A1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL4503863 0.75 SYK (0.39) SYK
SCHEMBL5013583 0.75 SYK (0.39) SYK
SCHEMBL28550933 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL28263800 0.74 CYP2A6 (0.44) MAPK1SLC6A2SLC6A4SLC6A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed
US-20210300863-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR INTERVET INC. (US) 2021-09-30 US disclosed
US-20210300863-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR INTERVET INC. (US) 2021-09-30 US disclosed
WO-2020025748-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR INTERVET INTERNATIONAL B.V. (NL) 2020-02-06 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-20210300863-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR CTSB, CTSF, CTSZ ALDH1A1 2183/4885MAPK1 2644/4885HMOX1 2049/4885

“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.