SCHEMBL4021188

SCHEMBL4021188

Cc1cc2c(Cc3ccccc3)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)oc2cc1OC1CCN(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
HRH3 Q9Y5N1 6/20 0.41
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HRH1 P35367 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 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
SCHEMBL4021190 1.00 RECQL (0.42) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL4014763 0.86 RECQL (0.44) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL4014767 0.86 RECQL (0.44) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL3646490 0.84 HRH3 (0.44) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL3646487 0.84 HRH3 (0.44) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL3810834 0.77 HRH3 (0.45) HRH3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4013259 0.77 HRH3 (0.45) HRH3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4015150 0.77 RECQL (0.48) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL3644474 0.77 RECQL (0.48) RECQLHRH3KMT2ANPC1RAB9A
SCHEMBL3765550 0.76 HRH3 (0.42) RECQLHRH3KMT2ANPC1RAB9A

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 3/4885KMT2A 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.