SCHEMBL3798243

SCHEMBL3798243

CCC1(Cc2ccc(F)cc2)NC(=O)C(Cc2c(F)cccc2C#N)N(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL3799072 0.94 GFER (0.33) ALDH1A1ALOX15TSHR
SCHEMBL3801727 0.93 KDM4E (0.31) MEN1KMT2AALDH1A1
SCHEMBL3792570 0.90 GRIN1 (0.33) ALDH1A1
SCHEMBL3792294 0.89 MEN1 (0.32) MEN1KMT2A
SCHEMBL3803161 0.89
SCHEMBL3804518 0.87 TACR1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL3021942 0.87 MEN1 (0.33) MEN1KMT2A
SCHEMBL3796589 0.84 GFER (0.34) MEN1KMT2AALDH1A1TSHR
SCHEMBL3796137 0.83 GFER (0.33)
SCHEMBL3797978 0.83 OPRK1 (0.33) MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US claimed
CN-101702907-A Piperazine compounds with a herbicidal action BASF SE 2010-05-05 CN claimed
CN-101679316-A Piperazine compounds with a herbicidal action BASF SE 2010-03-24 CN claimed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP claimed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
CN-101702907-A Piperazine compounds with a herbicidal action BASF SE 2010-05-05 CN disclosed
CN-101679316-A Piperazine compounds with a herbicidal action BASF SE 2010-03-24 CN disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 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-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 MEN1 4548/4885KMT2A 3366/4885ALDH1A1 1174/4885

“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.