SCHEMBL1935554

SCHEMBL1935554

COc1ccc(-c2ccnc(-c3noc(=O)[nH]3)c2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAT2A P31153 1/20 0.39
CDC7 O00311 2/20 0.38
MAPKAPK2 P49137 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
KMO O15229 1/20 0.37
TEK Q02763 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
LIMK1 P53667 1/20 0.36
EIF4E P06730 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1935306 0.92 ALDH1A1 (0.40) ALDH1A1MAT2ACDC7MAPKAPK2KMO
SCHEMBL1935547 0.85 ALOX5AP (0.40) ALDH1A1MAPKAPK2PDE3BPDE3AKMO
SCHEMBL12439881 0.85 TRPA1 (0.40) MAPKAPK2PDE3BPDE3AKMO
SCHEMBL12439870 0.84 KMO (0.44) MAPKAPK2PDE3BPDE3AKMOAKR1C3
SCHEMBL1935092 0.82 TGFBR1 (0.47) KMO
SCHEMBL12514488 0.82 KMO (0.38) ALDH1A1MAPKAPK2PDE3BPDE3AKMO
SCHEMBL1935552 0.81 AKR1C3 (0.38) MAT2ACDC7MAPKAPK2PDE3BPDE3A
SCHEMBL12439894 0.80 KMO (0.39) ALDH1A1MAPKAPK2PDE3BPDE3AKMO
SCHEMBL12439874 0.78 TRPA1 (0.40) ALDH1A1MAPKAPK2PDE3BPDE3AKMO
SCHEMBL1934821 0.78 MAPKAPK2 (0.40) ALDH1A1MAPKAPK2KMOEDNRBEDNRA

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
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
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US 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 1457/4885MAT2A 3998/4885CDC7 929/4885

“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.