SCHEMBL13655103

SCHEMBL13655103

CCCCCc1ccc(-c2cn(-c3ccc(-c4cnc(N)[nH]4)cc3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
S1PR1 P21453 11/20 0.52
S1PR4 O95977 4/20 0.47
S1PR5 Q9H228 4/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
S1PR3 Q99500 4/20 0.42
BCHE P06276 1/20 0.42
SPNS2 Q8IVW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13655250 0.76 FLT3 (0.47) CA12CA1CA2CA9
SCHEMBL15060890 0.73 CA12 (0.62) CA12CA1CA2CA9S1PR1
SCHEMBL4236493 0.73 CA12 (0.55) CA12CA1CA2CA9
SCHEMBL13527240 0.73 CA12 (0.61) CA12CA1CA2CA9S1PR1
SCHEMBL15923722 0.73 CA12 (0.61) CA12CA1CA2CA9S1PR1
SCHEMBL15935943 0.73 CA12 (0.58) CA12CA1CA2CA9S1PR1
SCHEMBL28014592 0.72 CA12 (0.60) CA12CA1CA2CA9S1PR1
SCHEMBL15060977 0.71 FLT3 (0.64) CA12CA1CA2CA9S1PR1
SCHEMBL4236712 0.71 JAK2 (0.47) CA12CA1CA2CA9
SCHEMBL13527251 0.70 FLT3 (0.62) CA12CA1CA2CA9S1PR1

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
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 US disclosed
US-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 US disclosed
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 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 (2 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-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS CA12 4735/4885CA1 4744/4885CA2 2705/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS CA12 4735/4885CA1 4744/4885CA2 2705/4885

“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.