SCHEMBL3047016

SCHEMBL3047016

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3c(c2)cc(-c2ccc(Cl)c4c2C(=O)NC4)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GPR119 Q8TDV5 2/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
STS P08842 5/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ENPP2 Q13822 2/20 0.38
KMT2A Q03164 3/20 0.38
GPR35 Q9HC97 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL3051536 0.90 ALDH1A1 (0.45) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3039340 0.88 BRD4 (0.37) GPR119KMT2AMEN1
SCHEMBL3047203 0.86 MEN1 (0.42) NPC1RAB9AGPR119KMT2AMEN1
SCHEMBL27700259 0.84 PTPN2 (0.46) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3041591 0.83 MEN1 (0.43) GPR119KMT2AMEN1ALDH1A1
SCHEMBL3047734 0.81 VEGFA (0.40) GPR119
SCHEMBL3042114 0.80 SMN1; SMN2 (0.39) GPR119PARP1PARP2KMT2AMEN1
SCHEMBL3044227 0.80 BRD4 (0.39)
SCHEMBL3034386 0.80 BRD4 (0.51)
SCHEMBL3043890 0.79 BRD4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 PTPN2 1337/4885PTPN1 1213/4885PTPN6 1350/4885

“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.