SCHEMBL1935305

SCHEMBL1935305

NC(=NO)c1cc(-c2cc(C(F)(F)F)ccc2Cl)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 2/20 0.41
KDM1A O60341 1/20 0.39
DYRK1A Q13627 1/20 0.38
IL2 P60568 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SCN9A Q15858 2/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
EIF4E P06730 1/20 0.35
RIPK1 Q13546 1/20 0.35
PLAU P00749 1/20 0.35
KMO O15229 1/20 0.34

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
SCHEMBL12439802 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19JAK2
SCHEMBL12514346 0.86 MPL (0.43) KDM1ADYRK1AFFAR4SCN9ACYP2C9
SCHEMBL1935109 0.86 SCN9A (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19JAK2
SCHEMBL1935599 0.86 MPL (0.43) KDM1ADYRK1AFFAR4SCN9ACYP2C9
SCHEMBL12514481 0.86 SCN9A (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19JAK2
SCHEMBL1934577 0.83 ALOX5AP (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19DYRK1A
SCHEMBL12439755 0.83 ALOX5AP (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19DYRK1A
SCHEMBL12446917 0.80 NOS3 (0.50) ALDH1A1NPSR1NOS3NOS2PLAU
SCHEMBL13847246 0.80 NOS3 (0.50) ALDH1A1NPSR1NOS3NOS2PLAU
SCHEMBL2337914 0.80 NOS3 (0.50) ALDH1A1NPSR1NOS3NOS2PLAU

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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 (1 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 ALDH1A1 1457/4885CYP1A2 217/4885CYP3A4 327/4885

“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.