SCHEMBL5633607

SCHEMBL5633607

CCOc1nc[nH]c1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NQO1 P15559 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SLC9A1 P19634 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRM1 P11229 1/20 0.33
CDK2 P24941 4/20 0.33
CDK1 P06493 4/20 0.33
CCNB1 P14635 4/20 0.33
CCNA2 P20248 3/20 0.33
CCNA1 P78396 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
PIN1 Q13526 1/20 0.32

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
SCHEMBL9369338 0.68 LRRK2 (0.33) LRRK2KDM4E
SCHEMBL3388864 0.67 PDPK1 (0.68) LRRK2SMN1; SMN2KDM4ELMNACDK2
SCHEMBL3388862 0.67 KDM4E (0.40) LRRK2HPGDSMN1; SMN2KDM4ESLC9A1
SCHEMBL31590423 0.66 KDM4E (0.66) HPGDSMN1; SMN2KDM4ELMNAPOLB
SCHEMBL7598688 0.66 HPGD (0.52) LRRK2HPGDSMN1; SMN2NQO1KDM4E
SCHEMBL5243244 0.65 KDM4E (0.44) HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL16834103 0.65 LRRK2 (0.31) LRRK2HPGDSMN1; SMN2KDM4E
SCHEMBL376876 0.64 HPGD (0.41) LRRK2HPGDSMN1; SMN2KDM4ECDK1
SCHEMBL8618498 0.64 CDK1 (0.77) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL8618497 0.64 CDK1 (0.44) CDK2CDK1CCNB1CCNA2CCNA1

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
CN-114867350-B Low volatility polyamine salts of anionic pesticides 巴斯夫公司 2024-08-13 CN disclosed
US-7196196-B2 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-1430052-A2 SUBSTITUTED IMIDAZO 1, 2-A]-5, 6, 7,8-TETRAHYDROPYRIDINE-8-ONES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF FOR PRODUCING IMIDAZO 1, 2-A]PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-23 EP disclosed
WO-2003024963-A2 SUBSTITUTED IMIDAZO[1, 2-A]-5, 6, 7,8-TETRAHYDROPYRIDINE-8-ONES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF FOR PRODUCING IMIDAZO[1, 2-A]PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 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-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BTN3A1, DHPS, NISCH LRRK2 3289/4885HPGD 294/4885SMN1; SMN2 2960/4885

“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.