SCHEMBL418255

SCHEMBL418255

O=C(O)c1cc(-c2cc(F)cc(Cl)c2)c(Br)o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
DAO P14920 1/20 0.38
RPA1 P27694 1/20 0.38
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MME P08473 1/20 0.34
GPR35 Q9HC97 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
APP P05067 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PIM1 P11309 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL419322 0.80 XPO1 (0.43) GPR35ALDH1A1HPGD
SCHEMBL2484720 0.79 EGLN1 (0.32) AKR1C3AKR1C2MMEEGLN1APP
SCHEMBL421725 0.78 NPC1 (0.44) MCL1ALDH1A1RXRARXRB
SCHEMBL2486656 0.75 PGR (0.31)
SCHEMBL420353 0.75 CHRNA4 (0.33) ALDH1A1
SCHEMBL2482216 0.71 XPO1 (0.39)
SCHEMBL31341172 0.71 RPA1 (0.40) MCL1DAORPA1NR4A1NR4A2
SCHEMBL459848 0.64 NR4A1 (0.42) RPA1NR4A1NR4A2NR4A3MME
SCHEMBL274316 0.64 CHRNA4 (0.49) MCL1DAOGPR35PIM1HPGD
SCHEMBL31232605 0.63 ALDH1A1 (0.47) ALDH1A1

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-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
EP-2376479-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 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-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AADAC, DDC, TPMT MCL1 603/4885DAO 134/4885RPA1 4663/4885

“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.