SCHEMBL717876

SCHEMBL717876

COc1cc(OC)cc(-n2cc(C(O)C3CCCCC3)c(C)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.38
TDO2 P48775 5/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP1B1 Q16678 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL720503 0.90 IDO1 (0.42) IDO1TDO2MEN1KMT2ASLC6A2
SCHEMBL717877 0.90 BCHE (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL720156 0.82 IDO1 (0.38) IDO1TDO2KMT2ABRD4
SCHEMBL720433 0.82 P2RX7 (0.41) IDO1TDO2MEN1KMT2AALDH1A1
SCHEMBL716678 0.80 IDO1 (0.40) IDO1TDO2KDM4ENPC1RAB9A
SCHEMBL717859 0.79 GCGR (0.39) ALDH1A1KDM4EBRD4
SCHEMBL718900 0.79 ALDH1A1 (0.37) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL718429 0.79 PKM (0.41) IDO1TDO2MEN1KMT2ANPC1
SCHEMBL717320 0.77 PDE2A (0.41) IDO1TDO2MEN1KMT2ASMN1; SMN2
SCHEMBL718340 0.76 IDO1 (0.41) IDO1TDO2MEN1KMT2ASLC6A2

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 3922/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885TDO2 3922/4885MEN1 444/4885

“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.