SCHEMBL10240011

SCHEMBL10240011

CCNc1ccc2occc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.46
CYP2A6 P11509 2/20 0.42
CA2 P00918 2/20 0.41
DYRK1A Q13627 4/20 0.40
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CDK9 P50750 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CA12 O43570 1/20 0.38
EPM2A O95278 1/20 0.38

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
SCHEMBL20419257 0.86 HTR1B (0.44) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL7788846 0.82 ABL1 (0.47) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL1116477 0.79 HTR1B (0.49) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL2578196 0.77 CYP2A6 (0.42) HTR1BCYP2A6CA2DYRK1ACTNNB1
Hydrochloric Acid SCHEMBL27927457 0.75 ALDH1A1 (0.52) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL24783507 0.75 CYP2A6 (0.46) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL13153074 0.75 CYP2A6 (0.46) HTR1BCYP2A6DYRK1ACTNNB1WNT3A
SCHEMBL6001072 0.75 CYP2A6 (0.46) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL11355784 0.75 DYRK1A (0.46) HTR1BCYP2A6CA2DYRK1ACTNNB1
SCHEMBL14635442 0.74 CYP2A6 (0.46) HTR1BCYP2A6CA2DYRK1ACTNNB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-0152340-B1 2-Sulfamoylbenzo[b]furan derivatives and ophtalmic composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1989-05-10 EP disclosed
US-4544667-A CARBONIC ANHYDRASE INHIBITOR; VISION DEFECTS MERCK & CO., INC. (US) 1985-10-01 US disclosed
EP-0152340-A1 2-Sulfamoylbenzo[b]furan derivatives and ophtalmic composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1985-08-21 EP 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 (4 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HTR1B 107/4885CYP2A6 753/4885CA2 4007/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 HTR1B 107/4885CYP2A6 753/4885CA2 4007/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HTR1B 107/4885CYP2A6 753/4885CA2 4007/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HTR1B 1211/4885CYP2A6 1509/4885CA2 3171/4885

“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.