SCHEMBL4307369

SCHEMBL4307369

NN1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD4 P21917 9/20 0.51
DRD3 P35462 9/20 0.51
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CXCR1 P25024 1/20 0.43
NOTUM Q6P988 2/20 0.41
EPHX2 P34913 1/20 0.41
MCHR1 Q99705 1/20 0.39

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
SCHEMBL4307346 0.87 HDAC3 (0.41) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4311394 0.86 MEN1 (0.45) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4312299 0.86 NOTUM (0.58) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4307364 0.86 NOTUM (0.56) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4311372 0.86 MCHR1 (0.44) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4314667 0.85 CYP11B1 (0.45) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4320442 0.83 MAPT (0.53) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL13616471 0.80 DRD2 (0.46) DRD2DRD4DRD3HDAC3HDAC4
SCHEMBL4320548 0.78 NOTUM (0.61) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL4312189 0.78 CYP2A6 (0.61) DRD2DRD4DRD3HDAC3HDAC4

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 3195/4885DRD4 2082/4885DRD3 1251/4885

“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.