SCHEMBL4314062

SCHEMBL4314062

Cc1cc(CN2CCN(N)CC2)on1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 2/20 0.40
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP2 Q13822 2/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
THRB P10828 1/20 0.36
VHL P40337 1/20 0.36

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
SCHEMBL23775544 0.84 DRD2 (0.43) DRD2SIGMAR1LMNAHRH3MEN1
SCHEMBL31010287 0.83 HRH3 (0.54) DRD2SIGMAR1LMNAHRH3MEN1
SCHEMBL18942317 0.81 LMNA (0.53) DRD2SIGMAR1LMNAHRH3THRB
SCHEMBL4311895 0.79 ADRA1D (0.52) LMNAHRH3THRB
SCHEMBL4308518 0.78 ADRA1D (0.36) LMNAHRH3THRB
SCHEMBL4311394 0.78 MEN1 (0.45) DRD2SIGMAR1LMNAMEN1KMT2A
SCHEMBL13616476 0.77 DRD2 (0.41) DRD2SIGMAR1LMNAHRH3MEN1
SCHEMBL785094 0.75 DRD2 (0.41) DRD2SIGMAR1LMNAMEN1KMT2A
SCHEMBL4307364 0.74 NOTUM (0.56) DRD2LMNA
SCHEMBL4314667 0.73 CYP11B1 (0.45) DRD2HRH3

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
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 DRD2 3195/4885SIGMAR1 2258/4885LMNA 2521/4885

“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.