SCHEMBL931530

SCHEMBL931530

CCOC(=O)C(C(=O)OCC)c1ncccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM4 P08173 2/20 0.41
PLIN1 O60240 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HSD17B2 P37059 1/20 0.40
GFER P55789 1/20 0.40
CHRM2 P08172 1/20 0.40
MMP8 P22894 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL27859657 0.93 KMT2A (0.43) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4924785 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11429586 0.80 MAPT (0.42) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL896714 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL896383 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL17487291 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL11422677 0.78 MAPT (0.41) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL895488 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL2003346 0.76 MEN1 (0.50) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1269180 0.75 ALDH1A1 (0.80) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
EP-2448934-B1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES ASTRAZENECA AB (SE) 2014-05-21 EP disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
EP-2448934-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 AstraZeneca AB (SE) 2012-05-09 EP disclosed
WO-2011002405-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 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 (2 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-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 C1R, HTR4, HTR2C ALDH1A1 931/4885KDM4E 789/4885L3MBTL1 2021/4885
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives C1R, CBR1, HTR2C ALDH1A1 888/4885KDM4E 1702/4885L3MBTL1 1687/4885

“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.