SCHEMBL3559961

SCHEMBL3559961

O=C(Nc1ccc(F)nc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
GAA P10253 3/20 0.55
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 4/20 0.49
PABPC1 P11940 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
ATM Q13315 1/20 0.46
MGLL Q99685 2/20 0.45
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSPB1 P04792 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL3069292 0.86 MAPT (0.50) MAPTGAAKMT2AMEN1POLB
SCHEMBL30825949 0.86 MAPT (0.50) MAPTGAAKMT2AMEN1POLB
SCHEMBL3559340 0.85 MAPT (0.50) MAPTGAAKMT2AMEN1POLB
SCHEMBL31665956 0.85 MAPT (0.50) MAPTGAAKMT2AMEN1POLB
SCHEMBL3566164 0.85 KMT2A (0.52) MAPTGAAKMT2AMEN1POLB
SCHEMBL13527385 0.85 KMT2A (0.52) MAPTGAAKMT2AMEN1POLB
SCHEMBL3573967 0.83 MAPT (0.66) MAPTGAAKMT2AMEN1POLB
SCHEMBL30995559 0.82 MAPT (0.47) MAPTGAAKMT2AMEN1POLB
SCHEMBL590790 0.82 MAPT (0.47) MAPTGAAKMT2AMEN1POLB
SCHEMBL896599 0.81 ALDH1A1 (0.56) MAPTGAAKMT2AMEN1POLB

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
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1557411-A1 N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-27 EP 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-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 MAPT 4453/4885GAA 4595/4885KMT2A 691/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 MAPT 4272/4885GAA 4303/4885KMT2A 878/4885

“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.