SCHEMBL3978489

SCHEMBL3978489

COc1ccccc1Oc1ncc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ATM Q13315 1/20 0.44
EDNRB P24530 11/20 0.43
EDNRA P25101 11/20 0.43
ACACB O00763 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
DHPS P49366 1/20 0.40

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
SCHEMBL28569491 0.80 CA1 (0.56) ALDH1A1MAPK1HTTL3MBTL1CA12
SCHEMBL4093664 0.80 CHRNB4 (0.39) ALDH1A1L3MBTL1EDNRBEDNRASLC6A2
SCHEMBL24155610 0.78 KMT2A (0.47) ALDH1A1L3MBTL1SLC6A2SLC6A3
SCHEMBL4560076 0.76 NNMT (0.50) ALDH1A1MAPK1HTTL3MBTL1CA12
SCHEMBL29805952 0.76 KMT2A (0.56) ALDH1A1MAPK1HTTL3MBTL1SLC6A4
SCHEMBL4085546 0.76 KMT2A (0.56) ALDH1A1MAPK1HTTL3MBTL1SLC6A4
SCHEMBL16758709 0.76 CA1 (0.62) ALDH1A1MAPK1HTTL3MBTL1CA12
SCHEMBL15915381 0.75 MAPT (0.46) ALDH1A1MAPK1HTTL3MBTL1CA12
SCHEMBL3983758 0.75 LMNA (0.47) ALDH1A1HTTL3MBTL1
SCHEMBL30024556 0.75 LMNA (0.47) ALDH1A1HTTL3MBTL1

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
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

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 1591/4885MAPK1 721/4885HTT 513/4885

“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.