SCHEMBL1310539

SCHEMBL1310539

NCCCCCCn1c(=O)ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
BRPF1 P55201 1/20 0.47
CA9 Q16790 1/20 0.47
KAT2B Q92831 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
CNR2 P34972 2/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
TDP1 Q9NUW8 8/20 0.42
RXRA P19793 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL1807117 0.86 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6197423 0.84 CA12 (0.51) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1034534 0.84 CA12 (0.47) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1764275 0.82 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL1037171 0.82 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL9111783 0.82 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4532625 0.82 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6198418 0.80 ALDH1A1 (0.55) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4101677 0.80 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL5659862 0.80 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B

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
EP-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8053446-B2 Cyanoguanidine compounds LEO PHARMA A/S (DK) 2011-11-08 US disclosed
US-20080312275-A1 Novel Cyanoguanidine Compounds LEO PHARMA A/S (DK) 2008-12-18 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-20080312275-A1 Novel Cyanoguanidine Compounds MKI67, CCNA1, COL1A1 CA12 3904/4885BRD4 2563/4885BRPF1 2066/4885

“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.