SCHEMBL4062250

SCHEMBL4062250

NC(=O)/C(=C\c1ccccc1)c1ccc(-c2cnc(N)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.54
SCN9A Q15858 3/20 0.45
NQO2 P16083 3/20 0.44
AKR1C1 Q04828 1/20 0.41
SCN3A Q9NY46 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LTA4H P09960 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
AKR1C3 P42330 1/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL4062253 1.00 MASP2 (0.54) MASP2SCN9ANQO2AKR1C1SCN3A
Hydrochloric Acid SCHEMBL4301125 0.99 MASP2 (0.52) MASP2SCN9ANQO2AKR1C1SCN3A
Hydrochloric Acid SCHEMBL4301129 0.99 MASP2 (0.52) MASP2SCN9ANQO2AKR1C1SCN3A
SCHEMBL4053946 0.76 MASP2 (0.58) MASP2SCN9ANQO2SCN3ALTA4H
Hydrochloric Acid SCHEMBL4061011 0.75 MASP2 (0.56) MASP2SCN9ANQO2SCN3ALTA4H
SCHEMBL23593943 0.74 AKR1C1 (0.70) NQO2AKR1C1POLBMEN1KMT2A
SCHEMBL2836206 0.74 AKR1C1 (0.70) NQO2AKR1C1POLBMEN1KMT2A
SCHEMBL6689798 0.74 AKR1C1 (0.70) NQO2AKR1C1POLBMEN1KMT2A
SCHEMBL4062251 0.73 MMP1 (0.56) MASP2SCN9ASCN3ARAB9AALDH1A1
SCHEMBL13655377 0.73 MMP1 (0.56) MASP2SCN9ASCN3ARAB9AALDH1A1

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 774/4885SCN9A 2854/4885NQO2 814/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885SCN9A 2854/4885NQO2 814/4885

“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.