SCHEMBL4322809

SCHEMBL4322809

NN1CCN(Cc2noc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CXCR1 P25024 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13616494 0.81 NOTUM (0.49) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL19810876 0.76 NOTUM (0.72) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL4312299 0.76 NOTUM (0.58) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL21598272 0.74 KCNH2 (0.48) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL7810523 0.73 NOTUM (0.72) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL23451512 0.71 NOTUM (1.00) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL8288457 0.71 NOTUM (0.70) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL19627022 0.71 NOTUM (0.70) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL4317470 0.71 NOTUM (0.56) NOTUMRAB9ANPC1HTTL3MBTL1
SCHEMBL11383855 0.70 SIGMAR1 (0.68) POLBALDH1A1LMNAKDM4EMEN1

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 NOTUM 4303/4885RAB9A 588/4885NPC1 202/4885

“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.