SCHEMBL4063091

SCHEMBL4063091

NC(=O)c1cccc(-c2cnc(N)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.56
CCNT1 O60563 1/20 0.50
CCND1 P24385 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
MNAT1 P51948 1/20 0.50
CDK6 Q00534 1/20 0.50
SCN9A Q15858 3/20 0.49
SCN4A P35499 1/20 0.49
SCN3A Q9NY46 1/20 0.49
FYN P06241 3/20 0.46
EGFR P00533 2/20 0.46
PIM1 P11309 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46

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
Hydrochloric Acid SCHEMBL4058021 0.98 MASP2 (0.54) MASP2CCNT1CCND1CCNCCDK8
SCHEMBL24427802 0.84 CCNT1 (0.49) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL28642696 0.83 CDK8 (0.53) MASP2CDK8SCN9ASCN4ASCN3A
SCHEMBL4053946 0.81 MASP2 (0.58) MASP2SCN9ASCN3AFYNCHEK2
Hydrochloric Acid SCHEMBL4061011 0.80 MASP2 (0.56) MASP2SCN9ASCN3AFYNCHEK2
SCHEMBL28368753 0.78 SCN9A (0.60) MASP2SCN9ASCN4ASCN3ACHEK2
SCHEMBL19501567 0.78 MASP2 (0.62) MASP2SCN9ASCN4ASCN3ACDK1
SCHEMBL4056971 0.77 MASP2 (0.67) MASP2SCN9ASCN4ASCN3AAXL
SCHEMBL20501030 0.77 SCN9A (0.61) MASP2CDK8SCN9ASCN4ASCN3A
Hydrochloric Acid SCHEMBL4053943 0.76 MASP2 (0.65) MASP2SCN9ASCN4ASCN3AAXL

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-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-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 MASP2 774/4885CCNT1 3660/4885CCND1 3279/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885CCNT1 3660/4885CCND1 3279/4885

“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.