SCHEMBL335100

SCHEMBL335100

CC(=O)c1ccc(N2CC2c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
GAA P10253 2/20 0.61
CYP3A4 P08684 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 4/20 0.40
RIPK1 Q13546 1/20 0.40
KCNJ1 P48048 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADAM17 P78536 1/20 0.38
GFER P55789 1/20 0.38
TSHR P16473 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
SCHEMBL7956272 0.72 NPC1 (0.69) GAACYP3A4BAZ2BNPC1RAB9A
SCHEMBL1138817 0.70 MAPT (0.61) L3MBTL1GAACYP3A4BAZ2BRAB9A
Methyl 4-Pyridylketone SCHEMBL55235 0.70
Methyl 4-Pyridylketone SCHEMBL27911491 0.68 NAPRT (0.56) L3MBTL1GAACYP3A4BAZ2BRAB9A
Methyl 4-Pyridylketone SCHEMBL28979293 0.68 NAPRT (0.56) L3MBTL1GAACYP3A4BAZ2BRAB9A
Methyl 4-Pyridylketone SCHEMBL27924145 0.66 NAPRT (0.54) L3MBTL1GAACYP3A4BAZ2BRAB9A
Methyl 4-Pyridylketone SCHEMBL28826915 0.66 NAPRT (0.54) L3MBTL1GAACYP3A4BAZ2BRAB9A
Methyl 4-Pyridylketone SCHEMBL28197397 0.66 NAPRT (0.54) L3MBTL1GAACYP3A4BAZ2BRAB9A
SCHEMBL8311986 0.66 HPGD (0.76) L3MBTL1GAACYP3A4BAZ2BNPC1
SCHEMBL14570547 0.66 MAPT (0.48) L3MBTL1CYP3A4BAZ2BNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 L3MBTL1 2853/4885GAA 551/4885CYP3A4 1107/4885

“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.