SCHEMBL13616562

SCHEMBL13616562

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL13616479 0.88 ADRA1D (0.46) ADRA1DADRA1AADRA1BHRH3L3MBTL1
SCHEMBL13616478 0.86 TLR7 (0.34) ADRA1DADRA1AADRA1BHRH3L3MBTL1
SCHEMBL13616476 0.84 DRD2 (0.41) HRH3L3MBTL1TDP1MAPK1LMNA
SCHEMBL13616467 0.78 SMN1; SMN2 (0.47) L3MBTL1TDP1MAPK1LMNARAB9A
SCHEMBL13616475 0.77 HDAC3 (0.43) L3MBTL1TDP1MAPK1LMNARAB9A
SCHEMBL13616483 0.77 HDAC3 (0.41) L3MBTL1LMNA
SCHEMBL13616468 0.76 NOTUM (0.48) L3MBTL1TDP1LMNARAB9A
SCHEMBL13616471 0.76 DRD2 (0.46) RAB9A
SCHEMBL18942316 0.76 LMNA (0.49) HRH3LMNARAB9ATHRB
SCHEMBL13616480 0.75 CA12 (0.44) HRH3L3MBTL1TDP1MAPK1RAB9A

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 ADRA1D 2449/4885ADRA1A 2133/4885ADRA1B 2771/4885

“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.