SCHEMBL1853489

SCHEMBL1853489

CCOC(=O)c1cccc(-c2cncc3cc(CCl)oc23)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
BRAF P15056 1/20 0.43
PRKDC P78527 1/20 0.42
JMJD6 Q6NYC1 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
SCHEMBL1854408 0.91 HPGD (0.46) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1848790 0.85 KMO (0.43) NPC1SMN1; SMN2RAB9A
SCHEMBL16734746 0.83 TP53 (0.58) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL16733080 0.82 TP53 (0.44) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1856053 0.82 GPR52 (0.56) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1847641 0.79 JMJD6 (0.47) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1849559 0.73 GPR52 (0.52) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL29617015 0.71 TP53 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1856476 0.71 GPR52 (0.51) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1852323 0.71 GPR52 (0.49) NPC1SMN1; SMN2RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 NPC1 2479/4885SMN1; SMN2 4263/4885RAB9A 2891/4885

“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.