SCHEMBL13616496

SCHEMBL13616496

C/C=N/N1CCN(CCc2cc(-c3ccc(Cl)cc3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
CXCR1 P25024 3/20 0.45
DRD2 P14416 10/20 0.43
DRD4 P21917 10/20 0.43
DRD3 P35462 10/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL13616500 0.94 DRD2 (0.49) NOTUMCXCR1DRD2DRD4DRD3
SCHEMBL13616468 0.91 NOTUM (0.48) NOTUMCXCR1DRD2DRD4DRD3
SCHEMBL13616564 0.90 DRD2 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL13616569 0.83 DRD2 (0.50) DRD2DRD4DRD3
SCHEMBL13616497 0.82 DRD2 (0.62) DRD2DRD4DRD3
SCHEMBL4317470 0.81 NOTUM (0.56) NOTUMCXCR1DRD2DRD4DRD3
SCHEMBL13616475 0.81 HDAC3 (0.43) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL13616471 0.80 DRD2 (0.46) CXCR1DRD2DRD4DRD3MAPT
SCHEMBL13616467 0.79 SMN1; SMN2 (0.47) NOTUMDRD2DRD4DRD3POLB
SCHEMBL13616469 0.79 NOTUM (0.51) NOTUMCXCR1MEN1KMT2AL3MBTL1

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 NOTUM 4303/4885CXCR1 3625/4885DRD2 3195/4885

“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.