SCHEMBL13655250

SCHEMBL13655250

Nc1ncc(-c2ccc(-n3cc(-c4cc(F)cc(F)c4)nn3)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.47
PTGS2 P35354 5/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA5A P35218 4/20 0.44
CA5B Q9Y2D0 4/20 0.44
STS P08842 2/20 0.44
PTGS1 P23219 1/20 0.42
MASP2 O00187 1/20 0.41
MAPT P10636 1/20 0.39
SNCA P37840 1/20 0.39
CDC7 O00311 1/20 0.38
LTA4H P09960 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL13655141 0.77 MASP2 (0.58) MASP2LTA4H
SCHEMBL13655103 0.76 CA12 (0.61) CA1CA2CA12CA9
SCHEMBL4236712 0.76 JAK2 (0.47) PTGS2CA1CA2CA5ACA5B
SCHEMBL4244497 0.74 NOTUM (0.52) CA1CA2MASP2MAPTCA12
SCHEMBL4236493 0.71 CA12 (0.55) CA1CA2MASP2MAPTLTA4H
SCHEMBL8221175 0.71 MASP2 (0.66) MASP2MAPTLTA4H
SCHEMBL16220811 0.70 PTGS2 (0.72) FLT3PTGS2CA1CA2CA5A
SCHEMBL4234350 0.69 MASP2 (0.50) MASP2SNCALTA4H
SCHEMBL27377321 0.69 FLT3 (0.52) FLT3PTGS2CA1CA2CA5A
Hydrochloric Acid SCHEMBL4294464 0.68 MASP2 (0.49) MASP2SNCALTA4H

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 FLT3 705/4885PTGS2 854/4885CA1 4744/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS FLT3 705/4885PTGS2 854/4885CA1 4744/4885

“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.