SCHEMBL16610985

SCHEMBL16610985

COC(=O)c1cc(-c2cn(-c3c(F)cc([N+](=O)[O-])cc3F)c3cc[nH]c(=O)c23)cs1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL16611510 0.89 MAPT (0.31) ALDH1A1MAPT
SCHEMBL16610981 0.87 CDK2 (0.30)
SCHEMBL16610677 0.82 QPCT (0.34) QPCTDGAT2MAPT
SCHEMBL16611235 0.75 CDK2 (0.32)
SCHEMBL16726711 0.74
SCHEMBL16610895 0.73 QPCT (0.35) QPCTDGAT2ABL1
SCHEMBL16611519 0.72 QPCT (0.38) QPCTDGAT2KDM4ETDP1ALDH1A1
SCHEMBL16610786 0.69 PTGER1 (0.38) QPCTDGAT2ALDH1A1ABL1
SCHEMBL6368901 0.66 SLC6A3 (0.49) GAANPC1LMNAMAPTHTT
SCHEMBL16610856 0.64 ALAD (0.34)

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 QPCT 352/4885DGAT2 2758/4885KDM4E 456/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 QPCT 352/4885DGAT2 2758/4885KDM4E 456/4885

“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.