SCHEMBL17844913

SCHEMBL17844913

O=C(O)NC1CCN(c2nccc3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPV1 Q8NER1 1/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
HTR2A P28223 2/20 0.43
MALT1 Q9UDY8 1/20 0.43
DYRK1A Q13627 1/20 0.42
OPRK1 P41145 1/20 0.41
PAK1 Q13153 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17844909 0.83 NEK2 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL17861385 0.83 PDE10A (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5220685 0.81 MALT1 (0.64) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1728915 0.81 KMT2A (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4163672 0.81 MTNR1A (0.44) DRD2DRD3OPRK1
SCHEMBL1727561 0.79 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5220690 0.78 KDM4E (0.66) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3216080 0.78 TRPV1 (0.69) TRPV1
SCHEMBL17844894 0.77 AKT2 (0.47) KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3281568 0.77 ALDH1A1 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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 (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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP KMT2A 4638/4885MEN1 4179/4885CYP1A2 2782/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP KMT2A 4638/4885MEN1 4179/4885CYP1A2 2782/4885

“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.