SCHEMBL13616563

SCHEMBL13616563

C/C=N/N1CCN(Cc2cc(-c3ccc(C)cc3Cl)no2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 3/20 0.37
TDP1 Q9NUW8 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL13616470 0.90 MAPT (0.39) MAPK1L3MBTL1MAPTHTTCYP1A2
SCHEMBL13616475 0.83 HDAC3 (0.43) MAPK1L3MBTL1MAPTHTTGAA
SCHEMBL13616468 0.80 NOTUM (0.48) L3MBTL1MAPTHTTCYP1A2CYP3A4
SCHEMBL13616467 0.78 SMN1; SMN2 (0.47) MAPK1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL13616469 0.77 NOTUM (0.51) L3MBTL1MAPTTDP1ALDH1A1LMNA
SCHEMBL13616483 0.77 HDAC3 (0.41) L3MBTL1MAPTHTTCYP2C19SMN1; SMN2
SCHEMBL13616476 0.76 DRD2 (0.41) MAPK1L3MBTL1MAPTGAATDP1
SCHEMBL13616471 0.76 DRD2 (0.46) MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL13616480 0.75 CA12 (0.44) MAPK1L3MBTL1MAPTGAATDP1
SCHEMBL13616564 0.75 DRD2 (0.44)

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 MAPK1 3153/4885L3MBTL1 4330/4885MAPT 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.