SCHEMBL1410239

SCHEMBL1410239

OC1CCN(c2cccc(F)c2C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
IDH2 P48735 5/20 0.42
HSD11B1 P28845 3/20 0.40
LMNA P02545 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL2940337 0.85 IDH2 (0.42) NOTUMIDH2HSD11B1LMNAPDE3B
SCHEMBL1410608 0.79 NOTUM (0.67) NOTUMIDH2HSD11B1LMNAPDE3B
SCHEMBL1410314 0.77 NOTUM (0.50) NOTUMIDH2HSD11B1PDE3BPDE3A
SCHEMBL1410317 0.76 KHK (0.47) NOTUMKMT2A
SCHEMBL1410348 0.75 NOTUM (0.49) NOTUMIDH2HSD11B1LMNAPDE3B
SCHEMBL31058329 0.75 ROCK2 (0.38) NOTUMMEN1KMT2A
SCHEMBL1410462 0.75 NOTUM (0.44) NOTUMHCAR1
SCHEMBL2938797 0.74 NOTUM (0.44) NOTUMIDH2HSD11B1KDM4E
SCHEMBL1409382 0.73 LMNA (0.52) NOTUMIDH2LMNAMEN1ALDH1A1
SCHEMBL1410645 0.73 LMNA (0.55) IDH2LMNAPDE3BPDE3AMEN1

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
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885IDH2 202/4885HSD11B1 573/4885

“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.