SCHEMBL2335100

SCHEMBL2335100

O=C(OCCl)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
JAK2 O60674 1/20 0.54
S1PR2 O95136 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HPGD P15428 3/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
PARL Q9H300 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50

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
SCHEMBL27986491 0.87 TSHR (0.61) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL28152534 0.85 HPGD (0.57) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL27794808 0.85 L3MBTL1 (0.56) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL10704503 0.84 CES2 (0.54) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL21953836 0.82 CES2 (0.52) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL406428 0.82 TSHR (0.74) ALDH1A1LMNAMAPTCES2CES1
SCHEMBL6062063 0.81 HPGD (0.57) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL6062845 0.81 HPGD (0.57) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL6062054 0.81 HPGD (0.57) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL10500394 0.80 ALDH1A1 (0.65) NPC1ALDH1A1LMNANPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
CN-101868456-B pyridine compound, pesticidal composition and method for controlling pests SUMITOMO CO LTD 2012-07-25 CN disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
CN-101868456-A pyridine compound, pesticidal composition and method for controlling pests SUMITOMO CHEMICAL CO 2010-10-20 CN disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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 (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-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP NPC1 4039/4885ALDH1A1 2627/4885RAB9A 772/4885

“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.