SCHEMBL20249046

SCHEMBL20249046

O=C(CBr)NCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL10013657 0.98 CA12 (0.55) CA12CA1CA2CA9NPC1
SCHEMBL4283848 0.82 ALDH1A1 (0.81) CA12CA1CA2CA9NPC1
SCHEMBL5822282 0.82 CA12 (0.58) CA12CA1CA2CA9NPC1
SCHEMBL13661591 0.82 MAPT (0.70) CA12CA1CA2CA9NPC1
SCHEMBL3852333 0.81 KMT2A (0.58) CA12CA1CA2CA9KDM4E
SCHEMBL18629170 0.81 CA12 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL84849 0.81 ALDH1A1 (0.57) CA12CA1CA2CA9NPC1
SCHEMBL25803770 0.81 CA12 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL11028517 0.80 CA12 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL3893911 0.79 CA12 (0.63) CA12CA1CA2CA9NPC1

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-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 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-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 CA12 4483/4885CA1 4516/4885CA2 4312/4885

“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.