SCHEMBL3025263

SCHEMBL3025263

CCC1(Cc2ccccc2)C(=O)N(C)/C(=C\c2c(C)cccc2C#N)C(=O)N1C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
KDM4E B2RXH2 3/20 0.31
TSHR P16473 3/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL3025266 1.00 ELANE (0.32) ELANEKDM4ETSHRHSD17B10MEN1
SCHEMBL3024912 0.92 KDM4E (0.33) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3024910 0.92 KDM4E (0.33) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3028114 0.89 ELANE (0.31) ELANEKDM4ETSHRHSD17B10HPGD
SCHEMBL3028113 0.89 ELANE (0.31) ELANEKDM4ETSHRHSD17B10HPGD
SCHEMBL3796312 0.89 ELANE (0.31) ELANE
SCHEMBL3796313 0.89 ELANE (0.31) ELANE
SCHEMBL3015915 0.88 PKM (0.34) ELANETSHRMAPTALDH1A1
SCHEMBL3015918 0.88 PKM (0.34) ELANETSHRMAPTALDH1A1
SCHEMBL3015521 0.87 KDM4E (0.32) ELANEKDM4ETSHRHSD17B10MEN1

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-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 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 (2 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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 ELANE 3135/4885KDM4E 4015/4885TSHR 846/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ELANE 4638/4885KDM4E 2283/4885TSHR 1271/4885

“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.