SCHEMBL2827779

SCHEMBL2827779

COc1cccc2oc(C(=O)c3c(-c4ccc(Br)cc4)noc3C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
TSHR P16473 3/20 0.41
KDM4E B2RXH2 8/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
BACE1 P56817 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.39
HKDC1 Q2TB90 1/20 0.39

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
SCHEMBL2830198 0.91 KMT2A (0.51) RAB9ATSHRKDM4EKMT2AMEN1
SCHEMBL2829272 0.84 KMT2A (0.52) RAB9ATSHRKDM4EKMT2AMEN1
SCHEMBL2828891 0.81 FLT3 (0.49) RAB9ATSHRKDM4EKMT2AMEN1
SCHEMBL2827781 0.80 BACE1 (0.49) RAB9ATSHRKMT2ABACE1NPC1
SCHEMBL2827017 0.79 TSHR (0.56) TSHRKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2829649 0.79 BACE1 (0.47) RAB9ATSHRALDH1A1BACE1PTGS2
SCHEMBL2829708 0.76 KMT2A (0.46) RAB9ATSHRKDM4EKMT2AMEN1
SCHEMBL2827089 0.76 LMNA (0.46) RAB9ATSHRKDM4EKMT2AMEN1
SCHEMBL2826364 0.75 FLT3 (0.51) RAB9AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2832702 0.75 ADORA3 (0.46) RAB9ATSHRKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
EP-1948648-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP claimed
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US claimed
WO-2007054444-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 US claimed
EP-1948648-B1 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-1948648-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP disclosed
US-7388025-B2 3-aryl-isoxazole-4-carbonyl-benzofuran derivatives HOFFMAN-LA ROCHE INC. (US) 2008-06-17 US disclosed
WO-2007054444-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 US 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-20070105922-A1 3-aryl-isoxazole-4-carbonyl-indole derivatives GABRA5, GABRA4, GABRA3 RAB9A 1937/4885TSHR 840/4885KDM4E 1096/4885

“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.