SCHEMBL9954458

SCHEMBL9954458

CCOC(=O)CCc1c(Cl)cccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
NLRP3 Q96P20 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 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
MAPT P10636 2/20 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
SCHEMBL18801861 0.89 CYP4F2 (0.53) CYP4F2CYP4A11NLRP3MEN1KMT2A
SCHEMBL4033051 0.89 CYP4F2 (0.53) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL27152475 0.85 NLRP3 (0.48) NLRP3MEN1KMT2AATMALDH1A1
SCHEMBL20749115 0.85 NLRP3 (0.51) CYP4F2CYP4A11NLRP3MEN1KMT2A
SCHEMBL535627 0.85 CYP4F2 (0.49) CYP4F2CYP4A11NLRP3MEN1KMT2A
SCHEMBL21225302 0.84 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL27713106 0.82 CYP4F2 (0.47) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL30759068 0.78 KDM4E (0.43) CYP4F2CYP4A11KMT2AALDH1A1GAA
SCHEMBL27168527 0.78 AKR1B1 (0.53) KMT2AKDM4E
SCHEMBL27291789 0.77 NLRP3 (0.44) CYP4F2CYP4A11NLRP3MEN1KMT2A

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 CYP4F2 78/4885CYP4A11 401/4885NLRP3 505/4885

“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.