SCHEMBL5388549

SCHEMBL5388549

NC(CC(N)c1nc2nnccc2[nH]1)OC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 5/20 0.33
▸ S1PR1 P21453 5/20 0.33
▸ S1PR5 Q9H228 5/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ AAK1 Q2M2I8 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
SCHEMBL5379951 0.71 — —
SCHEMBL18237727 0.63 HSD17B10 (0.42) —
Trifluoroacetic Acid SCHEMBL5379943 0.61 HRH4 (0.44) —
SCHEMBL3424225 0.60 SLC7A5 (0.39) —
SCHEMBL28393898 0.57 CETP (0.32) —
Trifluoroacetic Acid SCHEMBL30870503 0.56 L3MBTL1 (0.31) —
SCHEMBL906263 0.56 FAAH (0.30) —
SCHEMBL13911135 0.55 SMN1; SMN2 (0.39) —
SCHEMBL28245268 0.55 GABRR1 (0.31) —
SCHEMBL15935288 0.55 L3MBTL1 (0.36) SCN10A

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-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 — — US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 — — US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 — — US disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 — — US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 — — 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 (3 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 S1PR4 4801/4885S1PR1 4648/4885S1PR5 4646/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 S1PR4 3105/4885S1PR1 1682/4885S1PR5 2035/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 S1PR4 4803/4885S1PR1 4697/4885S1PR5 4627/4885

“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.

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