SCHEMBL657235

SCHEMBL657235

Cc1c(NCc2ccccc2)cc2c(c1C)OC(C)(C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
PSMB1 P20618 1/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3598172 0.75 PSMB1 (0.43) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL3604148 0.73 PSMB1 (0.43) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL3595952 0.73 PSMB1 (0.43) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL3600851 0.68 HTT (0.40) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL3600287 0.68 PSMB1 (0.42) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL658987 0.67 ALDH1A1 (0.42) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL12012962 0.67 EGFR (0.56) HSD17B10KMT2AMEN1MAPTCYP3A4
SCHEMBL658119 0.67 ESR1 (0.33)
SCHEMBL11883955 0.65 KMT2A (0.50) HSD17B10KMT2AMEN1MAPTCYP1A2
SCHEMBL14178701 0.64 HIF1A (0.40) HSD17B10KMT2AMEN1MAPTCYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN 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-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
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

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 HSD17B10 242/4885KMT2A 593/4885MEN1 2298/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 HSD17B10 242/4885KMT2A 593/4885MEN1 2298/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HSD17B10 242/4885KMT2A 593/4885MEN1 2298/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HSD17B10 308/4885KMT2A 635/4885MEN1 2740/4885

“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.