SCHEMBL4339065

SCHEMBL4339065

CCC(CC)CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
TYMP P19971 3/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRK1 P41145 1/20 0.40
CCR10 P46092 2/20 0.39
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 1/20 0.33
EGFR P00533 2/20 0.33

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
SCHEMBL13942803 0.82 CA12 (0.57) CA12CA1CA2CA9KMT2A
SCHEMBL11390072 0.82 CA12 (0.64) CA12CA1CA2CA9KMT2A
SCHEMBL9408094 0.80 KDM4E (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL12208066 0.80 CA12 (0.55) CA12CA1CA2CA9KMT2A
SCHEMBL9272320 0.79 KMT2A (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL13941940 0.78 TLR8 (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL6131548 0.77 CA12 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL13941942 0.77 TLR8 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL13941941 0.77 TLR8 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL27085315 0.77 TLR8 (0.53) CA12CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-20050004197-A1 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1391456-A1 2-IMINOIMIDAZOLE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2004-02-25 EP 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-20050004197-A1 2-iminoimidazole derivatives (2) H1-2, H1-3, H1-4 CA12 888/4885CA1 1668/4885CA2 173/4885

“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.