SCHEMBL4288250

SCHEMBL4288250

CCCCNC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1018550 0.85 ALDH1A1 (0.48) POLBALDH1A1KDM4EHTTL3MBTL1
SCHEMBL27813405 0.85 ALDH1A1 (0.52) POLBALDH1A1KDM4EHTTL3MBTL1
SCHEMBL1020119 0.76 ALDH1A1 (0.47) POLBALDH1A1KDM4EHTTL3MBTL1
SCHEMBL30309447 0.76 KMT2A (0.61) POLBALDH1A1HPGDLMNAMAPK1
SCHEMBL1020775 0.75 ALDH1A1 (0.50) POLBALDH1A1KDM4EHTTL3MBTL1
SCHEMBL27813402 0.74 ALDH1A1 (0.53) POLBALDH1A1KDM4EHTTL3MBTL1
SCHEMBL4288248 0.74 ALDH1A1 (0.45) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL5507075 0.73 ALDH1A1 (0.70) POLBALDH1A1HPGDL3MBTL1LMNA
SCHEMBL3649875 0.73 CHRM3 (0.67) SMN1; SMN2
SCHEMBL1019794 0.73 MAPK1 (0.41) ALDH1A1KDM4EHTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 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 (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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 POLB 2799/4885ALDH1A1 1749/4885KDM4E 3490/4885

“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.