SCHEMBL718429

SCHEMBL718429

Cc1nn(-c2cccc(Cl)c2)cc1C(O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
NOTUM Q6P988 1/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CCR1 P32246 1/20 0.37
CCR2 P41597 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
METAP2 P50579 2/20 0.36
METAP1 P53582 1/20 0.36
SRC P12931 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
NPC1 O15118 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
SCHEMBL716678 0.85 IDO1 (0.40) IDO1TDO2NOTUMMAPTADORA3
SCHEMBL720433 0.85 P2RX7 (0.41) PKMIDO1TDO2MEN1KMT2A
SCHEMBL717877 0.85 BCHE (0.42) NOTUMCCR1HTTADORA3ADORA2A
SCHEMBL717876 0.79 IDO1 (0.38) IDO1TDO2MEN1KMT2ANPC1
SCHEMBL716068 0.79 IDO1 (0.41) IDO1TDO2NOTUMPARP1MEN1
SCHEMBL720156 0.78 IDO1 (0.38) IDO1TDO2KMT2AADORA3ADORA2A
SCHEMBL720503 0.76 IDO1 (0.42) IDO1TDO2MEN1KMT2AMAPT
SCHEMBL717320 0.75 PDE2A (0.41) IDO1TDO2NOTUMMEN1KMT2A
SCHEMBL717859 0.73 GCGR (0.39) POLBMAPTABL1GAAL3MBTL1
SCHEMBL718900 0.72 ALDH1A1 (0.37) IDO1MEN1KMT2AHTTL3MBTL1

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 PKM 2662/4885IDO1 2682/4885TDO2 3922/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PKM 2662/4885IDO1 2682/4885TDO2 3922/4885

“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.