SCHEMBL4928429

SCHEMBL4928429

CCOc1ccc(-n2c(NCc3ccc(Cl)cc3)nc3cc(Cl)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CACNA2D1 P54289 2/20 0.53
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 2/20 0.48
P2RX3 P56373 1/20 0.48
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
CNR2 P34972 1/20 0.45
GAA P10253 2/20 0.44
MCHR1 Q99705 1/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4929556 0.92 NPC1 (0.47) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4930135 0.92 P2RX3 (0.46) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4930141 0.92 P2RX3 (0.46) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4926405 0.91 NPC1 (0.56) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4925131 0.90 NPC1 (0.52) NPC1RAB9ACACNA2D1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4925649 0.90 NPC1 (0.55) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4928387 0.86 P2RX3 (0.43) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4930949 0.86 P2RX3 (0.42) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4927663 0.86 P2RX3 (0.42) NPC1RAB9ACACNA2D1MAPTALDH1A1
SCHEMBL4931526 0.85 NPC1 (0.52) NPC1RAB9ACACNA2D1MAPTALDH1A1

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 NPC1 1300/4885RAB9A 3074/4885CACNA2D1 3298/4885

“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.