SCHEMBL4014044

SCHEMBL4014044

CC1CN(C(=O)c2oc3cc(OC4CCN(C(C)C)CC4)c(Cl)cc3c2C(C)C)CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
HRH3 Q9Y5N1 10/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3640591 1.00 RECQL (0.39) RECQLHRH3TSHRKMT2ACYP3A4
SCHEMBL3644474 0.91 RECQL (0.48) RECQLHRH3TSHRKMT2AALDH1A1
SCHEMBL4015150 0.91 RECQL (0.48) RECQLHRH3TSHRKMT2AALDH1A1
SCHEMBL3646490 0.90 HRH3 (0.44) RECQLHRH3KMT2AALDH1A1MEN1
SCHEMBL3646487 0.90 HRH3 (0.44) RECQLHRH3KMT2AALDH1A1MEN1
SCHEMBL3646552 0.89 HRH3 (0.38) RECQLHRH3TSHRKMT2ACYP3A4
SCHEMBL4014071 0.89 HRH3 (0.38) RECQLHRH3TSHRKMT2ACYP3A4
SCHEMBL3808822 0.87 HRH3 (0.40) HRH3
SCHEMBL3643972 0.86 HRH3 (0.39) HRH3
SCHEMBL4016947 0.86 HRH3 (0.47) HRH3

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 1737/4885HRH3 3/4885TSHR 184/4885

“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.