SCHEMBL1935488

SCHEMBL1935488

[O-][n+]1ccc(-c2ccc(Cl)cc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SCN9A Q15858 1/20 0.36
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PDK2 Q15119 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PCTP Q9UKL6 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL3840884 0.82 PDE3B (0.50) PDE3BPDE3ASCN9APOLBGLA
SCHEMBL1935103 0.81 TRPA1 (0.44) PDE3BPDE3APOLBGLAGAA
SCHEMBL30867127 0.78 TSHR (0.54) SCN9APOLBGLAGAATSHR
SCHEMBL3478117 0.77 AHR (0.53) GAATSHRSMN1; SMN2RAB9AHSD11B1
SCHEMBL1934757 0.76 S1PR1 (0.48) PDE3BPDE3ASCN9ARAB9AHSD11B1
SCHEMBL1934713 0.72 TRPA1 (0.46) SCN9AHSD11B1S1PR1
SCHEMBL1934910 0.71 S1PR1 (0.43) SCN9ACYP2D6S1PR1PTGDR2TMPRSS4
SCHEMBL3476640 0.70 HSP90AA1 (0.42) SCN9ALMNACYP1A2CYP2D6CYP2C19
SCHEMBL4936635 0.69 GAA (0.66) PDE3BPDE3APOLBGLAGAA
SCHEMBL4056345 0.69 APP (0.49) AKR1C3AKR1C2HSD11B1S1PR1

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 PDE3B 912/4885PDE3A 863/4885SCN9A 3140/4885

“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.