SCHEMBL3778058

SCHEMBL3778058

C[SiH](C)OC(C1CN(Cc2ccccc2)CCC1O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SLC18A3 Q16572 3/20 0.41
FUCA1 P04066 2/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.39
BACE1 P56817 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6042619 0.89 ALDH1A1 (0.41) ALDH1A1SLC18A3FUCA1ACHEBCHE
SCHEMBL1869066 0.81 ACHE (0.36) ALDH1A1ACHEBCHEBACE1
SCHEMBL7662549 0.79 RORC (0.46) FUCA1
SCHEMBL6104534 0.79 RORC (0.46) FUCA1
SCHEMBL7225558 0.78 ALDH1A1 (0.54) ALDH1A1SLC18A3FUCA1ACHEBCHE
SCHEMBL27674647 0.76 TACR1 (0.57)
SCHEMBL6589759 0.73 GBA1 (0.41) ALDH1A1NPC1RAB9A
SCHEMBL30994643 0.72 ALDH1A1 (0.54) ALDH1A1SLC18A3FUCA1ACHEBCHE
SCHEMBL5157969 0.71 FUCA1 (0.66) ALDH1A1SLC18A3FUCA1ACHEBCHE
SCHEMBL5157349 0.71 FUCA1 (0.66) ALDH1A1SLC18A3FUCA1ACHEBCHE

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
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B ALDH1A1 3016/4885SLC18A3 4224/4885FUCA1 2749/4885

“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.