SCHEMBL6953013

SCHEMBL6953013

CC(C)(C)OC(=O)NCCCCCN(C(N)=S)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA12 O43570 6/20 0.44
CA9 Q16790 6/20 0.44
LATS1 O95835 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL6955341 1.00 MAOA (0.46) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL3663531 0.83 MAOA (0.41) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL4420719 0.75 CYP3A4 (0.44) CYP3A4TDP1CSNK2A2CSNK2A1LATS1
SCHEMBL25122892 0.74 CYP3A4 (0.56) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL18834733 0.74 MAOA (0.55) MAOAMAOBTDP1CA1CA2
SCHEMBL4700870 0.73 TDP1 (0.53) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL25122811 0.73 CYP3A4 (0.54) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL7070178 0.72 CYP3A4 (0.44) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL21996950 0.72 CA12 (0.65) MAOAMAOBCYP3A4TDP1CSNK2A2
SCHEMBL5124510 0.72 TDP1 (0.67) MAOAMAOBCYP3A4TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646129-B2 Treatment of psoriasis and skin cancer LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-11-11 US disclosed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 EP disclosed
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S 2002-08-08 US disclosed
US-6346520-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-02-12 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-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors CCNC, MKI67, CCNI MAOA 629/4885MAOB 302/4885CYP3A4 1525/4885

“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.