SCHEMBL4928602

SCHEMBL4928602

CCOc1ccc(-n2c(NCc3ccc(C(C)(C)C)cc3)nc3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
GAA P10253 3/20 0.42
CACNA2D1 P54289 4/20 0.42
TP53 P04637 3/20 0.41
CNR2 P34972 1/20 0.40
HPGD P15428 1/20 0.40
CACNA1H O95180 1/20 0.39
P2RX3 P56373 1/20 0.38
MEN1 O00255 1/20 0.38
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4921970 0.92 NPC1 (0.40) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4927617 0.92 NPC1 (0.40) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4930475 0.90 DCTPP1 (0.47) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4925131 0.90 NPC1 (0.52) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL14306863 0.90 RAB9A (0.37) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4929807 0.90 TP53 (0.38) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4930629 0.89 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4929556 0.89 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4932676 0.89 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4931130 0.88 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1KDM4E

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-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

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 3074/4885MAPT 4574/4885

“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.