SCHEMBL4016670

SCHEMBL4016670

Cc1c(C(=O)N2CC(C)OC(C)C2)oc2cc(OC3CCN(C4CCC4)CC3)c(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
HRH1 P35367 4/20 0.38
CCR3 P51677 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
CASP6 P55212 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3646804 1.00 RECQL (0.47) RECQLNPC1RAB9AHRH1CCR3
SCHEMBL4014071 0.90 HRH3 (0.38) RECQLHRH1CCR3HRH3ALDH1A1
SCHEMBL3646552 0.90 HRH3 (0.38) RECQLHRH1CCR3HRH3ALDH1A1
SCHEMBL3809506 0.88 KMT2A (0.41) NPC1RAB9AHRH1CCR3HRH3
SCHEMBL4015150 0.87 RECQL (0.48) RECQLNPC1RAB9AHRH3ALDH1A1
SCHEMBL3644474 0.87 RECQL (0.48) RECQLNPC1RAB9AHRH3ALDH1A1
SCHEMBL3647115 0.86 NPC1 (0.41) NPC1RAB9AHRH1CCR3HRH3
SCHEMBL4014868 0.86 KMT2A (0.46) NPC1RAB9AHRH1CCR3HRH3
SCHEMBL4017332 0.85 RECQL (0.36) RECQLNPC1RAB9AHRH1CCR3
SCHEMBL4017336 0.85 RECQL (0.36) RECQLNPC1RAB9AHRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 RECQL 1737/4885NPC1 2383/4885RAB9A 4200/4885

“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.