SCHEMBL13232185

SCHEMBL13232185

CN1C(=O)c2cc3ccccc3n2C(=O)C1(C)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
KMT2A Q03164 1/20 0.37
ITGB2 P05107 2/20 0.34
ICAM1 P05362 2/20 0.34
ITGAL P20701 2/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PIK3CD O00329 1/20 0.33
APP P05067 1/20 0.33
CCR2 P41597 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL13232198 0.82 ATM (0.41) ELANEKMT2ABACE1HPGDALDH1A1
SCHEMBL13232203 0.76 PKM (0.36) ELANEBACE1ALDH1A1PIK3CD
SCHEMBL13262626 0.72 ITGB2 (0.32) ELANEITGB2ICAM1ITGALLMNA
SCHEMBL13232197 0.71 LMNA (0.35) KMT2ALMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13232186 0.68 GFER (0.43) KMT2ALMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL3086865 0.67 KMT2A (0.42) KMT2ALMNAHPGDALDH1A1BRD4
SCHEMBL29099026 0.66 ALDH1A1 (0.36) KMT2AHPGDALDH1A1BRD4CREBBP
SCHEMBL13879387 0.65 ELANE (0.59) ELANEKMT2AITGB2ICAM1ITGAL
SCHEMBL1710660 0.65 BACE1 (0.46) ELANEKMT2AITGB2ICAM1ITGAL
SCHEMBL30954231 0.64 L3MBTL1 (0.36) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
WO-2009000757-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2008-12-31 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-20100167933-A1 Piperazine Compounds With Herbicidal Action PRXL2A, CBR1, CBR3 ELANE 4501/4885KMT2A 2042/4885ITGB2 4170/4885

“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.