SCHEMBL13616487

SCHEMBL13616487

C/C=N/N1CCN(Cc2onc(-c3ccc(Cl)cc3)c2C(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.47
TP53 P04637 6/20 0.47
MAPT P10636 5/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 1/20 0.38
HPGD P15428 1/20 0.38
GABRA5 P31644 1/20 0.37

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
SCHEMBL13616559 0.91 GAA (0.46) LMNATP53MAPTRXFP1MAPK1
SCHEMBL13616488 0.89 CYP1A2 (0.39) LMNATP53MAPTRXFP1MAPK1
SCHEMBL4310411 0.85 LMNA (0.51) LMNATP53MAPTRXFP1SMN1; SMN2
SCHEMBL13616560 0.80 SMN1; SMN2 (0.43) LMNAMAPTMAPK1L3MBTL1SMN1; SMN2
SCHEMBL4721188 0.74 LMNA (0.51) LMNATP53MAPTRXFP1RAB9A
SCHEMBL4317015 0.72 CYP1A2 (0.41) LMNATP53MAPTRXFP1MAPK1
SCHEMBL13616494 0.71 NOTUM (0.49) LMNAMAPTMAPK1L3MBTL1SMN1; SMN2
SCHEMBL11893490 0.70 LMNA (0.56) LMNATP53MAPTRXFP1RAB9A
SCHEMBL13616468 0.70 NOTUM (0.48) LMNAMAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL13616496 0.66 NOTUM (0.46) MAPTL3MBTL1SMN1; SMN2RAB9A

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 LMNA 2521/4885TP53 2684/4885MAPT 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.