SCHEMBL13616492

SCHEMBL13616492

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
PKM P14618 2/20 0.46
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 3/20 0.43
MCHR1 Q99705 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 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
SCHEMBL13616566 0.89 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2APDE4B
SCHEMBL13616491 0.81 MAPT (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4307374 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL13616468 0.77 NOTUM (0.48) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL12420832 0.76 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL13616490 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL11626203 0.74 MAPT (0.69) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL13616494 0.73 NOTUM (0.49) ALDH1A1SMN1; SMN2PKMKCNH2GAA
SCHEMBL13616496 0.71 NOTUM (0.46) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13616493 0.69 KCNH2 (0.51) KCNH2KDM4EMAPT

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 ALDH1A1 1070/4885SMN1; SMN2 4789/4885MEN1 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.