SCHEMBL415891

SCHEMBL415891

O=C(c1cc(-c2cc(F)cc(Cl)c2)c(-c2ccc(F)c(Cl)c2)o1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BRAF P15056 1/20 0.42
JAK2 O60674 1/20 0.41
PRKCZ Q05513 1/20 0.40
TP53 P04637 2/20 0.40
MDM2 Q00987 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.39
RORC P51449 1/20 0.39
MAPK1 P28482 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
SCHEMBL416571 0.85 DPP4 (0.38) RAB9ANPC1MAPTALDH1A1
SCHEMBL416781 0.84 RPA1 (0.34) RAB9ANPC1MEN1KMT2ABRAF
SCHEMBL418233 0.83 HSP90AA1 (0.40) RAB9ASMN1; SMN2BRAF
SCHEMBL419511 0.82 RPA1 (0.35) RAB9ANPC1SMN1; SMN2BRAF
SCHEMBL417818 0.81 RPA1 (0.53) RAB9ANPC1KDM4EMDM2ALDH1A1
SCHEMBL417954 0.75 ALOX5 (0.40) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL421428 0.75 PRKDC (0.42) RAB9ANPC1SMN1; SMN2BRAFALDH1A1
SCHEMBL419740 0.73 PGR (0.34) BRAF
SCHEMBL421270 0.72 PDE4B (0.40) RAB9ASMN1; SMN2MEN1KMT2ABRAF
SCHEMBL2486902 0.72 RPA1 (0.41)

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 8 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
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 RAB9A 4238/4885NPC1 2894/4885SMN1; SMN2 950/4885

“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.