SCHEMBL4928334

SCHEMBL4928334

CC(C)Oc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 2/20 0.41
TBXA2R P21731 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4927333 0.91 P2RX3 (0.45) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4926742 0.91 P2RX3 (0.45) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4931797 0.90 P2RX3 (0.44) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4929604 0.88 KMT2A (0.51) SMN1; SMN2L3MBTL1KMT2AHTT
SCHEMBL14305566 0.87 P2RX3 (0.42) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14315831 0.87 P2RX3 (0.42) P2RX3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4931609 0.86 LMNA (0.52) SMN1; SMN2L3MBTL1DRD2ALDH1A1LMNA
SCHEMBL4929707 0.84 NPC1 (0.45) SMN1; SMN2L3MBTL1DRD2ALDH1A1LMNA
SCHEMBL4929752 0.84 HTT (0.44) SMN1; SMN2L3MBTL1KMT2ADRD2ALDH1A1
SCHEMBL4929730 0.83 DRD2 (0.42) SMN1; SMN2DRD2TBXA2RLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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 (1 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 P2RX3 463/4885CYP1A2 1472/4885CYP3A4 1846/4885

“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.