SCHEMBL4307364

SCHEMBL4307364

NN1CCN(Cc2cc(-c3ccccc3)no2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
DRD2 P14416 9/20 0.52
DRD4 P21917 9/20 0.52
DRD3 P35462 9/20 0.52
IL4I1 Q96RQ9 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL4314667 0.87 CYP11B1 (0.45) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL4311394 0.86 MEN1 (0.45) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL4312299 0.86 NOTUM (0.58) NOTUMSMN1; SMN2MAPTDRD2DRD4
SCHEMBL4307369 0.86 DRD2 (0.51) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL13625846 0.86 SMN1; SMN2 (0.53) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL4312189 0.85 CYP2A6 (0.61) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL4320548 0.85 NOTUM (0.61) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8577214 0.84 DRD2 (0.56) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2
SCHEMBL4310255 0.84 DRD2 (0.70) NOTUMDRD2DRD4DRD3
SCHEMBL12420831 0.83 SMN1; SMN2 (0.53) NOTUMSMN1; SMN2MAPTCYP11B1CYP11B2

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 4303/4885SMN1; SMN2 4789/4885MAPT 3175/4885

“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.