SCHEMBL659778

SCHEMBL659778

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(Cn3ccnc3C)O4)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
MAPT P10636 8/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
DHFR P00374 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.33
HTR2A P28223 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
SCHEMBL16104248 0.89 MAPT (0.31) MAPTKMT2ATSHRLMNADRD2
SCHEMBL658990 0.84 MAPT (0.38) MAPTRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL659549 0.83 DRD2 (0.42) MAPTKMT2ATSHRLMNADRD2
SCHEMBL658423 0.82 DRD2 (0.45) MAPTRAB9AKMT2ADRD2ALDH1A1
SCHEMBL661217 0.82 DRD2 (0.41) MAPTKMT2ATSHRLMNADRD2
SCHEMBL660321 0.82 DRD2 (0.41) F10MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL658875 0.81 HSD17B10 (0.42) MAPTRAB9AKMT2ALMNADRD2
SCHEMBL659589 0.81 ALDH1A1 (0.42) MAPTRAB9AKMT2ATSHRLMNA
SCHEMBL658936 0.81 ALDH1A1 (0.42) KMT2ADRD2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL658873 0.81 ALDH1A1 (0.41) MAPTRAB9AKMT2ATSHRLMNA

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-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-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 F10 2203/4885MAPT 3969/4885RAB9A 4271/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 F10 2203/4885MAPT 3969/4885RAB9A 4271/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 F10 2203/4885MAPT 3969/4885RAB9A 4271/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 F10 2617/4885MAPT 4353/4885RAB9A 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.