SCHEMBL9956609

SCHEMBL9956609

CCOC(=O)C(Cc1c(Cl)cccc1Br)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 1/20 0.40
NLRP3 Q96P20 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CASP1 P29466 1/20 0.39
PIN1 Q13526 1/20 0.39
RORC P51449 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4035939 0.89 MMP8 (0.49) KMT2AMMP8ALDH1A1CYP1A2MEN1
SCHEMBL14147393 0.83 MMP8 (0.50) KMT2AMMP8ALDH1A1CYP1A2MEN1
SCHEMBL13724813 0.82 KMT2A (0.45) KMT2AMMP8ALDH1A1CYP1A2CYP3A4
SCHEMBL21573712 0.80 ALDH1A1 (0.49) KMT2AMMP8ALDH1A1CYP1A2CYP3A4
SCHEMBL11526043 0.79 MMP8 (0.41) KMT2AMMP8ALDH1A1MEN1TDP1
SCHEMBL27152475 0.79 NLRP3 (0.48) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13150211 0.78 L3MBTL1 (0.49) KMT2AALDH1A1NPSR1MEN1KDM4E
SCHEMBL9954458 0.77 CYP4F2 (0.47) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1246314 0.76 KMT2A (0.63) KMT2AALDH1A1MEN1ATMTDP1
SCHEMBL16218019 0.76 TDP1 (0.50) KMT2AMMP8ALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
EP-2655365-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE AstraZeneca AB (SE) 2013-10-30 EP disclosed
CN-103380129-A 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB 2013-10-30 CN disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 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 (1 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A KMT2A 390/4885MMP8 4309/4885ALDH1A1 436/4885

“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.