SCHEMBL659400

SCHEMBL659400

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(CS(C)(=O)=O)O4)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 3/20 0.38
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL660521 0.88 ALDH1A1 (0.40) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL658423 0.86 DRD2 (0.45) ALDH1A1GAAMEN1KMT2ADRD2
SCHEMBL658875 0.85 HSD17B10 (0.42) LMNAALDH1A1GAAKMT2ADRD2
SCHEMBL658936 0.85 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2ADRD2
SCHEMBL659589 0.85 ALDH1A1 (0.42) LMNATSHRSMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL658873 0.85 ALDH1A1 (0.41) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL658834 0.85 DRD2 (0.41) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL658172 0.84 ALDH1A1 (0.43) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL658665 0.84 DRD2 (0.40) LMNATSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL657945 0.84 DRD2 (0.40) ALDH1A1GAAKMT2ADRD2HTR7

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 18 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-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US 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-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 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-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
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 (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 LMNA 3793/4885TSHR 2302/4885SMN1; SMN2 2846/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 LMNA 3793/4885TSHR 2302/4885SMN1; SMN2 2846/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 LMNA 3793/4885TSHR 2302/4885SMN1; SMN2 2846/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 LMNA 3390/4885TSHR 2018/4885SMN1; 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.