SCHEMBL716779

SCHEMBL716779

Cc1sc2ccccc2c1C(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.39
TDO2 P48775 7/20 0.39
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
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
SCHEMBL718405 0.82 MEN1 (0.34) POLBMAPTTP53MEN1KMT2A
SCHEMBL720511 0.79 IDO1 (0.36) IDO1TDO2POLBMAPTTP53
SCHEMBL13360485 0.70 GPR3 (0.46) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL721261 0.70 NR3C1 (0.47) LMNA
SCHEMBL716754 0.68 NPC1 (0.36) POLBMAPTTP53MEN1KMT2A
SCHEMBL718693 0.67 HSD17B2 (0.46) LMNAGAA
SCHEMBL10745045 0.66 KDM4E (0.52) POLBMAPTTP53MEN1KMT2A
SCHEMBL3101008 0.66 IDO1 (0.42) IDO1TDO2MAPT
SCHEMBL719970 0.65 CYP2C19 (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL720515 0.65 NPC1 (0.51) MAPTTP53MEN1KMT2AALDH1A1

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.