SCHEMBL4320548

SCHEMBL4320548

NN1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.61
CXCR1 P25024 1/20 0.45
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALPG P10696 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 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
SCHEMBL4312299 0.86 NOTUM (0.58) NOTUMCXCR1KMT2AL3MBTL1TDP1
SCHEMBL4307364 0.85 NOTUM (0.56) NOTUML3MBTL1TDP1MAPTLMNA
SCHEMBL13616469 0.82 NOTUM (0.51) NOTUMCXCR1KMT2AL3MBTL1TDP1
SCHEMBL4307346 0.81 HDAC3 (0.41) NOTUMMAPTALDH1A1DRD2DRD4
SCHEMBL4312189 0.80 CYP2A6 (0.61) NOTUMMAPTALDH1A1DRD2DRD4
SCHEMBL4307102 0.80 MAPT (0.43) NOTUMKMT2AL3MBTL1MAPTALDH1A1
SCHEMBL4314667 0.79 CYP11B1 (0.45) NOTUMMAPTDRD2DRD4DRD3
SCHEMBL4311394 0.78 MEN1 (0.45) NOTUMKMT2AMAPTALDH1A1LMNA
SCHEMBL4307369 0.78 DRD2 (0.51) NOTUMCXCR1MAPTDRD2DRD4
SCHEMBL2906394 0.77 NOTUM (1.00) NOTUMKMT2AL3MBTL1TDP1ALPG

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 4303/4885CXCR1 3625/4885KMT2A 3485/4885

“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.