SCHEMBL3223316

SCHEMBL3223316

O=C(NC1CCCC(c2nc3ccccc3n2CCO)C1)c1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ACHE P22303 1/20 0.45
CHRNA7 P36544 1/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
DRD3 P35462 2/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACSS2 Q9NR19 2/20 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
SCHEMBL13490428 1.00 NPC1 (0.49) NPC1RAB9AACHECHRNA7USP2
SCHEMBL14192263 1.00 NPC1 (0.49) NPC1RAB9AACHECHRNA7USP2
SCHEMBL3220241 0.91 NPC1 (0.47) NPC1RAB9AACHECHRNA7USP2
SCHEMBL13490317 0.91 NPC1 (0.47) NPC1RAB9AACHECHRNA7USP2
SCHEMBL3213313 0.91 NPC1 (0.47) NPC1RAB9AACHECHRNA7USP2
SCHEMBL3199540 0.91 NPC1 (0.50) NPC1RAB9AACHECHRNA7DRD2
SCHEMBL13490310 0.91 NPC1 (0.50) NPC1RAB9AACHECHRNA7DRD2
SCHEMBL13490316 0.90 NPC1 (0.46) NPC1RAB9AACHECHRNA7USP2
SCHEMBL3223654 0.90 NPC1 (0.46) NPC1RAB9AACHECHRNA7USP2
SCHEMBL14192807 0.88 NPC1 (0.53) NPC1RAB9AACHECHRNA7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 NPC1 3250/4885RAB9A 1662/4885ACHE 3151/4885

“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.