SCHEMBL16166305

SCHEMBL16166305

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NAPRT Q6XQN6 1/20 0.47
GRM4 Q14833 4/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
DGAT1 O75907 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 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
SCHEMBL8409678 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NAPRTGRM4RAB9AMAPT
SCHEMBL20372049 0.81 HSD17B3 (0.54) NAPRTGRM4RAB9AMAPTL3MBTL1
SCHEMBL1985578 0.81 NAPRT (0.64) SMN1; SMN2NAPRTGRM4RAB9AMAPT
SCHEMBL2271956 0.80 HSD17B3 (0.56) NAPRTGRM4RAB9AMAPTL3MBTL1
SCHEMBL7467309 0.80 TSHR (0.52) RAB9AMAPTL3MBTL1NPC1ALDH1A1
SCHEMBL3299695 0.80 NAPRT (0.55) SMN1; SMN2NAPRTGRM4RAB9AMAPT
SCHEMBL2270818 0.79 HSD17B3 (0.57) NAPRTGRM4RAB9AMAPTL3MBTL1
SCHEMBL13783888 0.78 HDAC8 (0.46) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11899972 0.78 NAPRT (0.56) SMN1; SMN2NAPRTGRM4RAB9AMAPT
SCHEMBL12728201 0.77 DGAT1 (0.59) SMN1; SMN2NAPRTGRM4RAB9AMAPT

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
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

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.