SCHEMBL3977514

SCHEMBL3977514

COc1ccc(Oc2ncc(Br)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
FFAR1 O14842 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LTA4H P09960 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL22405016 0.82 RAB9A (0.51) ALDH1A1MEN1KMT2ARAB9ACLK4
SCHEMBL3979224 0.80 APP (0.43) ALDH1A1MEN1KMT2AFFAR1RAB9A
SCHEMBL22404982 0.80 NPSR1 (0.57) MEN1KMT2AFFAR1L3MBTL1RAB9A
SCHEMBL11080118 0.80 MEN1 (0.50) MEN1KMT2AFFAR1RAB9ALTA4H
SCHEMBL11153430 0.80 MEN1 (0.62) ALDH1A1MEN1KMT2AFFAR1RAB9A
SCHEMBL24156362 0.80 MEN1 (0.44) ALDH1A1MEN1KMT2AFFAR1L3MBTL1
SCHEMBL18921120 0.79 TUBB4A (0.46) ALDH1A1MEN1KMT2AFFAR1RAB9A
SCHEMBL3978242 0.79 SLC6A4 (0.43) ALDH1A1MEN1KMT2AFFAR1RAB9A
SCHEMBL2313930 0.79 MEN1 (0.55) ALDH1A1MEN1KMT2AFFAR1RAB9A
SCHEMBL20657592 0.78 APP (0.50) FFAR1RAB9ASMN1; SMN2NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
US-4427437-A PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1984-01-24 US disclosed
EP-0001187-B1 2-PHENOXY-PYRIMIDINES AND THEIR USE AS PESTICIDES ICI AUSTRALIA LIMITED (AU) 1983-12-07 EP disclosed
US-4248618-A Derivatives of (pyrimidyloxy)phenoxy-alkanecarboxylic acid and herbicidal compositions thereof ICI AUSTRALIA LIMITED (AU) 1981-02-03 US disclosed
EP-0001187-A1 2-phenoxy-pyrimidines and their use as pesticides ICI AUSTRALIA LIMITED (AU) 1979-03-21 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 (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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 ALDH1A1 1591/4885MEN1 1922/4885KMT2A 620/4885

“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.