SCHEMBL660735

SCHEMBL660735

Cc1c(C)c(N2CCN(c3ccc(C(C)C)cc3)CC2)c(C)c2c1OC(C)(CO)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.36
ALOX15 P16050 3/20 0.36
ALOX12 P18054 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.34
PANK3 Q9H999 3/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
NR1I2 O75469 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
FKBP1A P62942 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
SCHEMBL660086 0.89 DHFR (0.37) MAPTLMNASMN1; SMN2GAAALOX15
SCHEMBL10240199 0.85 MAPT (0.37) MAPTLMNAMAPK1SMN1; SMN2GAA
SCHEMBL658936 0.85 ALDH1A1 (0.42) MAPK1GAAL3MBTL1HTTALDH1A1
SCHEMBL1721711 0.84 S1PR1 (0.33) MAPTALOX15IRAK4
SCHEMBL661493 0.79 DPP4 (0.34) MAPTLMNAMAPK1SMN1; SMN2GAA
SCHEMBL659589 0.76 ALDH1A1 (0.42) MAPTLMNASMN1; SMN2GAAKDM4E
SCHEMBL16104250 0.76 ALDH1A1 (0.40) MAPK1GAAL3MBTL1HTTALDH1A1
SCHEMBL1723583 0.76 SMN1; SMN2 (0.35) MAPTLMNASMN1; SMN2GAAALOX15
Hydrochloric Acid SCHEMBL658873 0.75 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2GAAKDM4E
SCHEMBL658423 0.75 DRD2 (0.45) MAPTGAAKDM4ETDP1L3MBTL1

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 20 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-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-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-20120232096-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 MAPT 3969/4885LMNA 3793/4885MAPK1 1629/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAPT 3969/4885LMNA 3793/4885MAPK1 1629/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAPT 3969/4885LMNA 3793/4885MAPK1 1629/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAPT 4353/4885LMNA 3390/4885MAPK1 1636/4885

“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.