SCHEMBL3545076

SCHEMBL3545076

COC(=O)CCN(c1nc(Cl)ncc1N(O)O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
EPHX2 P34913 2/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
PDE2A O00408 1/20 0.31
P2RY12 Q9H244 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KMT2A Q03164 1/20 0.30
CETP P11597 1/20 0.30
CDK4 P11802 1/20 0.30
CCND3 P30281 1/20 0.30

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
SCHEMBL4163362 0.84 ALDH1A1 (0.36) ALDH1A1LMNANPSR1PKMS1PR1
SCHEMBL1203321 0.82 ALDH1A1 (0.38) ALDH1A1LMNANPSR1PKMKMT2A
SCHEMBL1203811 0.81 ALDH1A1 (0.40) ALDH1A1LMNANPSR1PKMS1PR1
SCHEMBL3648455 0.76 ALDH1A1 (0.38) ALDH1A1LMNANPSR1PKMS1PR1
SCHEMBL1204212 0.74 PIN1 (0.35) ALDH1A1LMNAKMT2A
SCHEMBL4079811 0.72 ALDH1A1 (0.39) ALDH1A1LMNAS1PR1KMT2A
SCHEMBL3542272 0.72 NPC1 (0.33) ALDH1A1LMNANPSR1S1PR1S1PR3
SCHEMBL4163365 0.72 ALDH1A1 (0.38) ALDH1A1LMNANPSR1PKMKMT2A
SCHEMBL4079516 0.72 KMT2A (0.35) ALDH1A1LMNAS1PR1PDE3BPDE3A
SCHEMBL3540225 0.71 IGF1R (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ALDH1A1 422/4885LMNA 1996/4885NPSR1 876/4885

“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.