SCHEMBL13616478

SCHEMBL13616478

C/C=N/N1CCN(Cc2cc(CN(C)C)no2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 2/20 0.34
MAPK1 P28482 3/20 0.33
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
GAA P10253 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL13616562 0.86 ADRA1D (0.35) ADRA1DADRA1AADRA1BMAPK1HRH3
SCHEMBL13616479 0.85 ADRA1D (0.46) ADRA1DADRA1AADRA1BMAPK1MAPT
SCHEMBL13616476 0.82 DRD2 (0.41) MAPK1MAPTHRH3LMNAL3MBTL1
SCHEMBL4308518 0.81 ADRA1D (0.36) TLR7ADRA1DADRA1AADRA1BHRH3
SCHEMBL13616467 0.76 SMN1; SMN2 (0.47) MAPK1MAPTLMNAL3MBTL1HDAC3
SCHEMBL13616475 0.75 HDAC3 (0.43) MAPK1MAPTLMNAL3MBTL1GAA
SCHEMBL13616483 0.75 HDAC3 (0.41) MAPTLMNAL3MBTL1HDAC3HDAC4
SCHEMBL13616468 0.74 NOTUM (0.48) MAPTLMNAL3MBTL1HDAC3HDAC4
SCHEMBL13616471 0.74 DRD2 (0.46) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL13616486 0.73 CXCR1 (0.50) MAPTHRH3L3MBTL1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TLR7 1071/4885ADRA1D 2449/4885ADRA1A 2133/4885

“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.