SCHEMBL19966103

SCHEMBL19966103

CC(S)N1CCCCCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
KCNA5 P22460 2/20 0.32
CYP2C19 P33261 2/20 0.32
KCNH2 Q12809 2/20 0.32
KCNE1 P15382 1/20 0.32

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
SCHEMBL298651 1.00
SCHEMBL19966128 1.00 FDPS (0.35) FDPSSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL19965984 1.00 FDPS (0.35) FDPSSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL18964822 1.00
SCHEMBL19966106 1.00 FDPS (0.35) FDPSSMN1; SMN2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11326042 0.97 SMN1; SMN2 (0.35) FDPSSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL23183148 0.97
SCHEMBL10704852 0.97
SCHEMBL20900954 0.90
SCHEMBL15260444 0.83 CYP2D6 (0.32) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-07-03 US disclosed
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-03-15 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 (2 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-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents HBS1L, DBNL, BOD1L1 FDPS 321/4885SMN1; SMN2 3403/4885CYP1A2 3110/4885
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS ABCB11, ABCB7, BRI3BP FDPS 200/4885SMN1; SMN2 3575/4885CYP1A2 2724/4885

“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.