SCHEMBL2887047

SCHEMBL2887047

O=C(OCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.38
JMJD6 Q6NYC1 1/20 0.36
SYK P43405 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL2340832 0.92 ALDH1A1 (0.39) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2340206 0.92 ALDH1A1 (0.47) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2338450 0.90 ALDH1A1 (0.41) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2338886 0.90 ALDH1A1 (0.41) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2339120 0.89 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2335949 0.89 ALDH1A1 (0.40) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2335135 0.89 ALDH1A1 (0.42) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2334619 0.88 ALDH1A1 (0.39) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2332039 0.88 JMJD6 (0.37) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2338781 0.87 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1SMN1; SMN2

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 4 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
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US 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 ALDH1A1 2627/4885LMNA 3135/4885RAB9A 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.