SCHEMBL658990

SCHEMBL658990

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(Cn3cccn3)O4)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
KMT2A Q03164 5/20 0.38
RAB9A P51151 3/20 0.38
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 7/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
DCTPP1 Q9H773 1/20 0.35
SMO Q99835 1/20 0.34
NPC1 O15118 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL658423 0.84 DRD2 (0.45) MAPTKMT2ARAB9ADRD2ALDH1A1
SCHEMBL659778 0.84 F10 (0.38) MAPTKMT2ARAB9ADRD2ALDH1A1
SCHEMBL659549 0.83 DRD2 (0.42) MAPTKMT2ADRD2ALDH1A1GAA
SCHEMBL661217 0.82 DRD2 (0.41) MAPTKMT2ADRD2ALDH1A1GAA
SCHEMBL660321 0.82 DRD2 (0.41) MAPTKMT2ARAB9ADRD2ALDH1A1
SCHEMBL657945 0.82 DRD2 (0.40) MAPTKMT2ARAB9ADRD2ALDH1A1
SCHEMBL658936 0.81 ALDH1A1 (0.42) KMT2ADRD2ALDH1A1GAAHTT
SCHEMBL659589 0.81 ALDH1A1 (0.42) MAPTKMT2ARAB9ADRD2ALDH1A1
SCHEMBL658875 0.81 HSD17B10 (0.42) MAPTKMT2ARAB9ADRD2ALDH1A1
SCHEMBL659892 0.81 DRD2 (0.38) MAPTKMT2ADRD2ALDH1A1GAA

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 21 patents — showing the first 20. 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-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-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
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 3969/4885KMT2A 593/4885RAB9A 4271/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAPT 3969/4885KMT2A 593/4885RAB9A 4271/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAPT 3969/4885KMT2A 593/4885RAB9A 4271/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAPT 4353/4885KMT2A 635/4885RAB9A 4177/4885

“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.