SCHEMBL2097596

SCHEMBL2097596

NCCCCNC1CC[N]C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 1/20 0.36
CA12 O43570 2/20 0.33
F13A1 P00488 2/20 0.33
CA2 P00918 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
THPO P40225 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MTOR P42345 1/20 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
SCHEMBL1579101 0.94 SMYD3 (0.35) SQLECA12F13A1CA2CYP1A2
SCHEMBL1579445 0.94 SMYD3 (0.35) SQLECA12F13A1CA2CYP1A2
SCHEMBL8852252 0.88 SQLE (0.41) SQLECA12F13A1CA2CYP1A2
SCHEMBL1579155 0.86
SCHEMBL8851126 0.82 SMYD3 (0.39) SQLECA12F13A1CA2CYP1A2
SCHEMBL2094212 0.81 EPHX1 (0.34) GNAI3GNAO1GNAI1
SCHEMBL7506740 0.81 GNAI3 (0.49) TSHRGBA1GNAI3GNAO1GNAI1
SCHEMBL9820874 0.79 GNAI3 (0.51) GBA1GNAI3GNAO1GNAI1
SCHEMBL3778248 0.78
SCHEMBL7010988 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 SQLE 500/4885CA12 3880/4885F13A1 3051/4885

“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.