SCHEMBL660359

SCHEMBL660359

CC1(C)Cc2ccc(-c3cccnc3)cc2O1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.52
CYP11B2 P19099 14/20 0.52
BACE1 P56817 2/20 0.48
CTSD P07339 1/20 0.48
TDP2 O95551 2/20 0.45
CYP1A2 P05177 6/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.44
KDM1A O60341 1/20 0.44
CYP2B6 P20813 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
TBXAS1 P24557 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL659452 0.79 BACE1 (0.39) CYP11B1CYP11B2BACE1CTSDKCNH2
SCHEMBL660552 0.75 KIT (0.41) BACE1CTSDALDH1A1
SCHEMBL22583211 0.73 LMNA (0.38) KCNH2ALDH1A1
SCHEMBL30065850 0.70 CYP11B2 (0.48) CYP11B1CYP11B2BACE1CYP1A2CYP3A4
SCHEMBL12721333 0.70 CYP2A6 (0.54) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17876213 0.70 CYP11B1 (0.50) CYP11B1CYP11B2BACE1CTSDTDP2
SCHEMBL2431654 0.69 CTSD (0.41) BACE1CTSDTDP2CYP3A4CYP2C9
SCHEMBL13388789 0.69 PDK2 (0.57) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL567206 0.69 CYP11B1 (0.81) CYP11B1CYP11B2CYP1A2CYP3A4ALDH1A1
SCHEMBL17876173 0.69 CYP11B1 (0.49) CYP11B1CYP11B2BACE1CTSDTDP2

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
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-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
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 CYP11B1 380/4885CYP11B2 144/4885BACE1 3533/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 CYP11B1 380/4885CYP11B2 144/4885BACE1 3533/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 CYP11B1 380/4885CYP11B2 144/4885BACE1 3533/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 CYP11B1 383/4885CYP11B2 191/4885BACE1 3871/4885

“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.