SCHEMBL13616566

SCHEMBL13616566

C/C=N/N1CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4B Q07343 1/20 0.46
MAPK1 P28482 7/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
TDP1 Q9NUW8 4/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
DDAH1 O94760 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
ABCB1 P08183 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL13616492 0.89 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MEN1KMT2APDE4B
SCHEMBL13616491 0.77 MAPT (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL13616475 0.77 HDAC3 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL13616567 0.74 MAPK1 (0.49) SMN1; SMN2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL11627964 0.73 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13616568 0.72 MAPK1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL11625921 0.72 MAPT (0.58) SMN1; SMN2ALDH1A1MEN1KMT2APDE4B
SCHEMBL13616564 0.70 DRD2 (0.44) MEN1KMT2A
SCHEMBL13616570 0.68 NOTUM (0.51) MAPK1L3MBTL1TDP1GAA
SCHEMBL13616560 0.67 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMAPK1L3MBTL1

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 4789/4885ALDH1A1 1070/4885MEN1 3940/4885

“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.