SCHEMBL13616476

SCHEMBL13616476

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ENPP2 Q13822 2/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 5/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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 0.84 ADRA1D (0.35) L3MBTL1MAPK1LMNATDP1GAA
SCHEMBL13616479 0.83 ADRA1D (0.46) L3MBTL1MAPK1LMNAGAAHRH3
SCHEMBL13616478 0.82 TLR7 (0.34) L3MBTL1MAPK1LMNATDP1GAA
SCHEMBL13616475 0.81 HDAC3 (0.43) SIGMAR1KCNH2L3MBTL1MAPK1LMNA
SCHEMBL13616467 0.79 SMN1; SMN2 (0.47) DRD2L3MBTL1MAPK1LMNATDP1
SCHEMBL26952641 0.79 DRD2 (0.45) DRD2SIGMAR1LMNATDP1HRH3
SCHEMBL13616483 0.78 HDAC3 (0.41) DRD2L3MBTL1LMNAALDH1A1MAPT
SCHEMBL13616471 0.77 DRD2 (0.46) DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13616468 0.77 NOTUM (0.48) DRD2L3MBTL1LMNATDP1ALDH1A1
SCHEMBL4314062 0.77 DRD2 (0.44) DRD2SIGMAR1ENPP2KCNH2LMNA

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 DRD2 3195/4885SIGMAR1 2258/4885ENPP2 4525/4885

“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.