SCHEMBL1407210

SCHEMBL1407210

O=C(Nc1cccc(I)c1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HIF1A Q16665 1/20 0.57
EPAS1 Q99814 1/20 0.57
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
FAAH O00519 1/20 0.54
POLB P06746 2/20 0.54
HCRTR1 O43613 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL15033571 0.84 NPC1 (0.70) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL21336627 0.82 KDM4E (0.68) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL12694399 0.82 NPC1 (0.68) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL12693 0.82 ALDH1A1 (0.76) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL20237020 0.82 SMN1; SMN2 (0.68) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL3916937 0.82 NPC1 (0.68) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1097789 0.82 NPC1 (0.68) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL11197051 0.82 ALDH1A1 (0.76) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8769380 0.81 GAA (0.73) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1848179 0.81 CYP2C9 (1.00) NPC1RAB9ACYP2C9CYP2C19SMN1; SMN2

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
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 NPC1 23/4885RAB9A 2658/4885CYP2C9 211/4885

“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.