SCHEMBL13616467

SCHEMBL13616467

C/C=N/N1CCN(Cc2cc(-c3ccccc3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 1/20 0.47
DRD2 P14416 8/20 0.46
DRD4 P21917 8/20 0.46
DRD3 P35462 8/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NOTUM Q6P988 2/20 0.46
IL4I1 Q96RQ9 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 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
SCHEMBL13616475 0.89 HDAC3 (0.43) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL13616483 0.89 HDAC3 (0.41) SMN1; SMN2MAPTDRD2DRD4DRD3
SCHEMBL13616481 0.89 CYP2A6 (0.52) SMN1; SMN2MAPTDRD2DRD4DRD3
SCHEMBL13616471 0.88 DRD2 (0.46) SMN1; SMN2MAPTDRD2DRD4DRD3
SCHEMBL13616468 0.88 NOTUM (0.48) SMN1; SMN2MAPTDRD2DRD4DRD3
SCHEMBL13616469 0.88 NOTUM (0.51) MAPTNOTUMNPC1RAB9AL3MBTL1
SCHEMBL13616477 0.86 MAPT (0.49) SMN1; SMN2MAPTDRD2DRD4DRD3
SCHEMBL13616497 0.86 DRD2 (0.62) DRD2DRD4DRD3
SCHEMBL13616474 0.85 MAPT (0.43) MAPTDRD2DRD4DRD3LMNA
SCHEMBL13616480 0.85 CA12 (0.44) MAPTCYP11B1CYP11B2NPC1RAB9A

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 SMN1; SMN2 4789/4885MAPT 3175/4885DRD2 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.