SCHEMBL4017336

SCHEMBL4017336

CC1CN(C(=O)c2oc3cc(OC4CCN(C5CCC5)CC4)c(Cl)cc3c2-c2ccc(F)cc2)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
HRH3 Q9Y5N1 7/20 0.36
MAPK1 P28482 1/20 0.36
HRH1 P35367 2/20 0.36
TSHR P16473 1/20 0.36
CCR3 P51677 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4017332 1.00 RECQL (0.36) RECQLUTS2RHRH3MAPK1HRH1
SCHEMBL4019512 0.88 HRH3 (0.36) RECQLUTS2RHRH3HRH1TSHR
SCHEMBL4019517 0.88 HRH3 (0.36) RECQLUTS2RHRH3HRH1TSHR
SCHEMBL3645576 0.88 UTS2R (0.40) UTS2RHRH3MAPK1HRH1CCR3
SCHEMBL4013755 0.87 MAPK1 (0.38) UTS2RHRH3MAPK1HRH1CCR3
SCHEMBL3803258 0.87 MAPK1 (0.38) UTS2RHRH3MAPK1HRH1CCR3
SCHEMBL3649162 0.87 HRH3 (0.42) HRH3HRH1CYP2D6KMT2AMEN1
SCHEMBL4016497 0.87 HRH3 (0.42) HRH3HRH1CYP2D6KMT2AMEN1
SCHEMBL4016670 0.85 RECQL (0.47) RECQLHRH3MAPK1HRH1TSHR
SCHEMBL3646804 0.85 RECQL (0.47) RECQLHRH3MAPK1HRH1TSHR

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 1737/4885UTS2R 234/4885HRH3 3/4885

“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.