SCHEMBL2897589

SCHEMBL2897589

COC(C)(OC)c1[c]cnn1-c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
CASR P41180 1/20 0.38
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
GAA P10253 2/20 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
SCHEMBL2900588 0.83 POLB (0.38) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL1902318 0.75 NPC1 (0.46) MPONPBWR1MCHR1NPC1RAB9A
SCHEMBL2895233 0.75 KCNN4 (0.35) PKMSMN1; SMN2RXRASLC16A3SLC16A1
SCHEMBL2901143 0.72 CYP17A1 (0.37)
SCHEMBL7819973 0.69 MCHR1 (0.40) MPONPBWR1MCHR1NPC1RAB9A
SCHEMBL1904592 0.66 ALDH1A1 (0.38) MPONPC1RAB9AATMSMN1; SMN2
SCHEMBL1012342 0.63 MAPK14 (0.50) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL29396851 0.63 MAPK14 (0.50) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL21023834 0.62 RXRA (0.50) MPONPBWR1MCHR1NPC1RAB9A
SCHEMBL1906114 0.62 CYP1A2 (0.47) NPBWR1MCHR1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MPO 1809/4885NPBWR1 693/4885MCHR1 3628/4885

“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.