SCHEMBL720511

SCHEMBL720511

Cc1c(C(O)C2CCCCC2)sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.36
TDO2 P48775 8/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PRNP P04156 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL716754 0.82 NPC1 (0.36) POLBMAPTTP53NPC1RAB9A
SCHEMBL716779 0.79 IDO1 (0.39) IDO1TDO2POLBMAPTTP53
SCHEMBL723030 0.78 PDE2A (0.42) IDO1TDO2MEN1KMT2ALMNA
SCHEMBL719872 0.78 PDE2A (0.42) IDO1TDO2DHODHMEN1KMT2A
SCHEMBL720764 0.72 RCE1 (0.46) POLBMAPTTP53NPC1RAB9A
SCHEMBL4093915 0.72 GPR3 (0.44) IDO1TDO2POLBMAPTRAB9A
SCHEMBL718249 0.71 RCE1 (0.44) MAPTTP53NPC1RAB9APRNP
SCHEMBL3280749 0.70 HPGD (0.42) IDO1TDO2POLBMAPTPRNP
SCHEMBL12425595 0.70 GPR3 (0.46) IDO1TDO2POLBMAPTNPC1
SCHEMBL721261 0.70 NR3C1 (0.47) LMNA

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 3922/4885POLB 4719/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885TDO2 3922/4885POLB 4719/4885

“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.