SCHEMBL658096

SCHEMBL658096

Cc1c(C)c2c(c(C)c1Br)CC(C)(CN1C(=O)c3ccccc3C1=O)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
ACHE P22303 2/20 0.33
RPS6KA2 Q15349 1/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
HPGD P15428 2/20 0.31
GSK3B P49841 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL6982154 0.86 CYP1A2 (0.36) ALDH1A1CYP2C19MEN1KMT2ACYP1A2
SCHEMBL657711 0.82 MAPT (0.38) ALDH1A1CYP2C19KMT2ACYP1A2CYP2C9
SCHEMBL659619 0.73 USP2 (0.38) KMT2ACYP2C9MAPTTP53NPSR1
SCHEMBL658220 0.72 CYP4F2 (0.30)
SCHEMBL15865226 0.72 CYP1A2 (0.40) ALDH1A1CYP2C19MEN1KMT2ACYP1A2
SCHEMBL661399 0.72 USP2 (0.38) MEN1KMT2ACYP2C9MAPTTP53
SCHEMBL660836 0.72 NPC1 (0.33) ALDH1A1MEN1KMT2ACYP2C9MAPT
SCHEMBL659423 0.71 USP2 (0.33) KMT2ACYP2C9MAPTTP53NPSR1
SCHEMBL656157 0.70 NR1I2 (0.33) CYP2C19MEN1KMT2ACYP2C9MAPT
SCHEMBL659070 0.70

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 ALDH1A1 618/4885CYP2C19 267/4885MEN1 2298/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 ALDH1A1 618/4885CYP2C19 267/4885MEN1 2298/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 ALDH1A1 618/4885CYP2C19 267/4885MEN1 2298/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 ALDH1A1 1010/4885CYP2C19 414/4885MEN1 2740/4885

“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.