SCHEMBL4019372

SCHEMBL4019372

CC1CN(C(=O)c2oc3cc(OC4CCN(C5CCC5)CC4)ccc3c2-c2ccccc2)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
HRH3 Q9Y5N1 11/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3644099 1.00 MAPK1 (0.46) MAPK1RECQLKMT2AMEN1HRH3
SCHEMBL4016497 0.92 HRH3 (0.42) KMT2AMEN1HRH3HRH1KCNH2
SCHEMBL3649162 0.92 HRH3 (0.42) KMT2AMEN1HRH3HRH1KCNH2
SCHEMBL4020493 0.87 HRH3 (0.44) RECQLKMT2AHRH3MAOAMAOB
SCHEMBL4020498 0.87 HRH3 (0.44) RECQLKMT2AHRH3MAOAMAOB
SCHEMBL3643046 0.87 MAPK1 (0.50) MAPK1KMT2AMEN1HRH3MAOA
SCHEMBL4026678 0.86 MAPK1 (0.49) MAPK1KMT2AMEN1HRH3MAOA
SCHEMBL3644005 0.85 MAPK1 (0.48) MAPK1KMT2AMEN1HRH3MAOA
SCHEMBL3809361 0.81 HRH3 (0.46) MAPK1KMT2AMEN1HRH3HRH1
SCHEMBL3647606 0.80 KMT2A (0.46) KMT2AMEN1HRH3MAOBCYP2D6

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 MAPK1 2589/4885RECQL 1737/4885KMT2A 231/4885

“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.