SCHEMBL6656615

SCHEMBL6656615

O=C(Cc1cccc(Br)c1)OSc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
HCAR2 Q8TDS4 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MAOA P21397 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GLA P06280 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
GLS O94925 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
BACE1 P56817 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
SCHEMBL6654871 0.79 ADAM17 (0.43) MAOBMAOAPARP15PARP14PARP10
SCHEMBL28232439 0.74 EGFR (0.48) MAOBHCAR2IDO1AGXTPARP15
SCHEMBL29700723 0.72 SLC7A5 (0.55) MAOBGLAEGFRERBB2
SCHEMBL22849881 0.72 EGFR (0.47) MAOBHCAR2IDO1AGXTPARP15
SCHEMBL136054 0.72 SLC7A5 (0.55) MAOBGLAEGFRERBB2
SCHEMBL1724245 0.72 ALDH1A1 (0.69) MAOBHCAR2IDO1AGXTGLA
SCHEMBL27796402 0.72 TAAR1 (0.47) MAOBHCAR2IDO1AGXTMAOA
SCHEMBL6662581 0.71 HTT (0.51)
SCHEMBL6660793 0.71 LTA4H (0.43) FFAR1
SCHEMBL28294905 0.71 ALDH1A1 (0.45) MAOB

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-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 MAOB 1673/4885HCAR2 97/4885IDO1 222/4885

“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.