SCHEMBL16610633

SCHEMBL16610633

COC(=O)/C(=C\N)c1c(C(=O)OC)ccn1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 8/20 0.34
HSD17B10 Q99714 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HPGD P15428 3/20 0.34
ATM Q13315 2/20 0.34
GAA P10253 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 3/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
POLB P06746 1/20 0.33
YAP1 P46937 1/20 0.33
MYC P01106 1/20 0.33
OPRK1 P41145 2/20 0.32
TP53 P04637 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL16610634 1.00 KDM4E (0.36) KDM4ESMN1; SMN2MAPTALDH1A1HSD17B10
SCHEMBL3988852 0.78 KDM4E (0.37) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3988853 0.78 KDM4E (0.37) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL16611515 0.74 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1HSD17B10NPSR1
SCHEMBL16336367 0.68 HDAC8 (0.43) KDM4EMAPTALDH1A1NPSR1ATM
SCHEMBL3990571 0.66 MYC (0.37) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3990574 0.66 MYC (0.37) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL30612380 0.66 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HSD17B10NPSR1
SCHEMBL16611120 0.66 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1HSD17B10NPSR1
SCHEMBL3991021 0.65 KDM4E (0.38) KDM4EMAPTALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM4E 456/4885SMN1; SMN2 397/4885MAPT 1208/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM4E 456/4885SMN1; SMN2 397/4885MAPT 1208/4885

“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.