SCHEMBL4014868

SCHEMBL4014868

Cc1c(C(=O)N2CCS(=O)(=O)CC2)oc2cc(OC3CCN(C4CCC4)CC3)c(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
NPC1 O15118 6/20 0.41
HRH1 P35367 3/20 0.40
CCR3 P51677 3/20 0.40
RAB9A P51151 5/20 0.39
CASP6 P55212 1/20 0.38
MEN1 O00255 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4015725 0.90 HRH3 (0.38) KMT2AHRH1CCR3MEN1HRH3
SCHEMBL3809506 0.89 KMT2A (0.41) KMT2ANPC1HRH1CCR3RAB9A
SCHEMBL3647115 0.88 NPC1 (0.41) KMT2ANPC1HRH1CCR3RAB9A
SCHEMBL3649081 0.87 HRH3 (0.39) KMT2ANPC1HRH1CCR3RAB9A
SCHEMBL4020812 0.87 HRH3 (0.47) KMT2ANPC1RAB9ACASP6MEN1
SCHEMBL3646804 0.86 RECQL (0.47) KMT2ANPC1HRH1CCR3RAB9A
SCHEMBL4016670 0.86 RECQL (0.47) KMT2ANPC1HRH1CCR3RAB9A
SCHEMBL4019964 0.86 MAPK1 (0.47) KMT2AHRH1CCR3MEN1HRH3
SCHEMBL4013755 0.84 MAPK1 (0.38) KMT2AHRH1CCR3MEN1HRH3
SCHEMBL3644806 0.82 TSHR (0.46) KMT2ANPC1RAB9AMEN1HRH3

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 KMT2A 231/4885NPC1 2383/4885HRH1 8/4885

“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.