SCHEMBL6311747

SCHEMBL6311747

C=C(C)CN1CCNC(=O)c2oc3ccc([N+](=O)[O-])cc3c21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6312275 0.86 POLB (0.47) PIM1CA12CA9POLBTDP1
SCHEMBL6311897 0.83 PIM1 (0.46) PIM1
SCHEMBL6311817 0.82 PIM1 (0.48) PIM1
SCHEMBL6311672 0.81 PRKD1 (0.36) TDP1
SCHEMBL6311096 0.77 NPC1 (0.41) CA12CA9POLBTDP1
SCHEMBL6320291 0.72 CA12 (0.46) CA12CA9POLBTDP1
SCHEMBL6313431 0.67 PRKD1 (0.36) POLBTDP1
SCHEMBL6313376 0.67 PIM1 (0.52) PIM1
SCHEMBL6312278 0.67 PIM1 (0.48) PIM1
SCHEMBL6311645 0.67 MAPT (0.40) TDP1

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-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L PIM1 3251/4885CA12 2276/4885CA9 2963/4885

“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.