SCHEMBL19630043

SCHEMBL19630043

CNCNN1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
SNCA P37840 1/20 0.35
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
NCF1 P14598 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL509603 0.76 CA12 (0.38) CA12CA2CA9CA1SNCA
SCHEMBL3182945 0.72 SNCA (0.41) CA12CA2CA9CA1SNCA
SCHEMBL19629003 0.72 GNAI3 (0.48)
SCHEMBL1095829 0.71
SCHEMBL28883061 0.70 SNCA (0.40) CA12CA2CA9CA1SNCA
SCHEMBL2763072 0.70 SNCA (0.40) CA12CA2CA9CA1SNCA
SCHEMBL8535667 0.70 SNCA (0.40) CA12CA2CA9CA1SNCA
SCHEMBL8694711 0.69 GNAI3 (0.50) CA12CA2CA9CA1SNCA
SCHEMBL20258328 0.67 CA12 (0.44) CA12CA2CA9CA1ALDH1A1
SCHEMBL19503494 0.67 GNAI3 (0.58) CA12CA2CA9SNCAALDH1A1

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-11530197-B2 Analogs for the treatment of disease INSILICO MEDICINE IP LIMITED (HK) 2022-12-20 US disclosed
WO-2017201342-A1 POLYNUCLEOTIDES ENCODING JAGGED1 FOR THE TREATMENT OF ALAGILLE SYNDROME MODERNATX, INC. (US) 2017-11-23 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-11530197-B2 Analogs for the treatment of disease MAP4K4, MAP4K5, MAP4K2 CA12 4540/4885CA2 3134/4885CA9 4109/4885

“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.