SCHEMBL720156

SCHEMBL720156

Cc1nn(-c2cc(F)cc(F)c2)cc1C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.38
TDO2 P48775 10/20 0.38
BRD4 O60885 2/20 0.34
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE2A O00408 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
SCHEMBL14905676 0.84 IDO1 (0.36) IDO1TDO2ADORA3ADORA2A
SCHEMBL717876 0.82 IDO1 (0.38) IDO1TDO2BRD4KMT2A
SCHEMBL720433 0.82 P2RX7 (0.41) IDO1TDO2ADORA3ADORA2AKMT2A
SCHEMBL717249 0.81 HDAC9 (0.36) IDO1TDO2KMT2A
SCHEMBL716678 0.80 IDO1 (0.40) IDO1TDO2ADORA3ADORA2A
SCHEMBL717320 0.79 PDE2A (0.41) IDO1TDO2KMT2APDE2A
SCHEMBL718429 0.78 PKM (0.41) IDO1TDO2ADORA3ADORA2AKMT2A
SCHEMBL720503 0.78 IDO1 (0.42) IDO1TDO2ADORA3KMT2A
SCHEMBL717877 0.77 BCHE (0.42) ADORA3ADORA2A
SCHEMBL717859 0.76 GCGR (0.39) BRD4

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885TDO2 3922/4885BRD4 195/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885TDO2 3922/4885BRD4 195/4885

“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.