SCHEMBL8409678

SCHEMBL8409678

COC(=O)CCC(=O)c1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NAPRT Q6XQN6 1/20 0.50
GRM4 Q14833 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
DGAT1 O75907 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL16166305 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NAPRTGRM4RAB9AL3MBTL1
SCHEMBL1985578 0.87 NAPRT (0.64) SMN1; SMN2NAPRTGRM4RAB9AL3MBTL1
SCHEMBL12728201 0.85 DGAT1 (0.59) SMN1; SMN2NAPRTGRM4RAB9AL3MBTL1
SCHEMBL4895540 0.83 MAPT (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15979648 0.81 NAPRT (0.53) SMN1; SMN2NAPRTGRM4RAB9AL3MBTL1
SCHEMBL6622769 0.80 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL11899972 0.80 NAPRT (0.56) SMN1; SMN2NAPRTGRM4RAB9AL3MBTL1
SCHEMBL9263357 0.78 KMT2A (0.60) SMN1; SMN2RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL20372049 0.78 HSD17B3 (0.54) NAPRTGRM4RAB9AL3MBTL1ALDH1A1
SCHEMBL3173315 0.77 DGAT1 (0.60) SMN1; SMN2NAPRTGRM4RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984089-B1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2022-03-09 EP disclosed
US-11019820-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2021-06-01 US disclosed
US-20180007905-A1 Substituted Pyrimidinium Compounds and Derivatives for Combating Animal Pests BASF SE (DE) 2018-01-11 US disclosed
US-9730451-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2017-08-15 US disclosed
US-20160058009-A1 Substituted Pyrimidinium Compounds and Derivatives for Combating Animal Pests BASF SE (DE) 2016-03-03 US disclosed
EP-2984089-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2016-02-17 EP disclosed
WO-2014167084-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2014-10-16 WO disclosed
US-5994540-A HYDROXY- AND CHLORO-PYRIDYLPYRIDAZINONE DERIVATIVES LONZA, LTD. (CH) 1999-11-30 US disclosed
US-5760236-A CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS LONZA, LTD. (CH) 1998-06-02 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 (3 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-20160058009-A1 Substituted Pyrimidinium Compounds and Derivatives for Combating Animal Pests THOP1, PRDX2, PRDX1 SMN1; SMN2 1373/4885NAPRT 446/4885GRM4 671/4885
US-11019820-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests THOP1, PRDX2, PRDX1 SMN1; SMN2 1373/4885NAPRT 446/4885GRM4 671/4885
US-20180007905-A1 Substituted Pyrimidinium Compounds and Derivatives for Combating Animal Pests THOP1, PRDX2, PRDX1 SMN1; SMN2 1373/4885NAPRT 446/4885GRM4 671/4885

“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.