SCHEMBL659011

SCHEMBL659011

Cc1ccc(-c2c(N3CCN(c4ccc(C)cc4)CC3)cc3c(c2C)OC(C)(C)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
POLB P06746 1/20 0.35
DHFR P00374 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
ADRB1 P08588 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PTK2B Q14289 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL660056 0.94 MAPT (0.38) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL658996 0.94 TP53 (0.36) SMN1; SMN2POLBLMNAMAPTKDM4E
SCHEMBL656755 0.76 MAPT (0.42) AKR1C3SLC6A9SLC6A5POLBDHFR
SCHEMBL657523 0.76 HTR2A (0.33) DHFRFFAR4
SCHEMBL659398 0.71 MAPT (0.41) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL661032 0.69 AKR1C3 (0.40) AKR1C3SMN1; SMN2POLBDHFRALDH1A1
SCHEMBL659978 0.67 LMNA (0.34) SMN1; SMN2POLBLMNAFFAR4MAPT
SCHEMBL658016 0.66 AKR1C3 (0.43) AKR1C3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL656772 0.64 AKR1C3 (0.36) AKR1C3ALDH1A1LMNAADRB1MAPT
SCHEMBL10063748 0.64 ADRB1 (0.70) AKR1C3SMN1; SMN2POLBDHFRALDH1A1

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
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-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-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
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
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
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 AKR1C3 604/4885SMN1; SMN2 2846/4885SLC6A9 3723/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 AKR1C3 604/4885SMN1; SMN2 2846/4885SLC6A9 3723/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 AKR1C3 604/4885SMN1; SMN2 2846/4885SLC6A9 3723/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 AKR1C3 379/4885SMN1; SMN2 2862/4885SLC6A9 3993/4885

“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.