SCHEMBL659226

SCHEMBL659226

Cc1cc(N)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.39
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
EZH2 Q15910 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 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
SCHEMBL8877823 0.83 ALDH1A1 (0.36) DHFRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6314822 0.80 PTGS1 (0.35) DHFRHTR2A
SCHEMBL659634 0.79 EZH2 (0.41) DHFRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10044410 0.77 ALDH1A1 (0.39) DHFRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8878654 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAHTTEZH2
SCHEMBL7994509 0.74 ALDH1A1 (0.48) DHFRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8876927 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAHTTEZH2
SCHEMBL8117537 0.73 ALDH1A1 (0.38) DHFRALDH1A1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL10961028 0.73 ALDH1A1 (0.47) DHFRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL29494119 0.72 ALDH1A1 (0.39) DHFRALDH1A1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
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 DHFR 162/4885ALDH1A1 618/4885SMN1; SMN2 2846/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 DHFR 162/4885ALDH1A1 618/4885SMN1; SMN2 2846/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 DHFR 162/4885ALDH1A1 618/4885SMN1; SMN2 2846/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 DHFR 400/4885ALDH1A1 1010/4885SMN1; SMN2 2862/4885

“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.