SCHEMBL334665

SCHEMBL334665

CCN(CCN)C(C)c1ccc(OC)c(CSc2nnnn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL10244482 0.86 POLB (0.45) ALDH1A1L3MBTL1CYP1A2CYP2C19TSHR
SCHEMBL336196 0.72 CYP1A2 (0.36) CYP1A2PKM
SCHEMBL334877 0.69 PKM (0.70) ALDH1A1L3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL10282516 0.65 S1PR1 (0.37) ALDH1A1CYP1A2TSHRPKMLMNA
SCHEMBL334955 0.64 TRPM8 (0.52) ALDH1A1CYP1A2KMT2AMEN1HTT
SCHEMBL334241 0.64 ALOX5 (0.43) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL334526 0.63 AOC3 (0.46) L3MBTL1TSHRKDM4E
SCHEMBL335816 0.63 AOC3 (0.46) L3MBTL1TSHRKDM4E
SCHEMBL336346 0.62 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL10349681 0.62 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP1A2CYP2C19HTT

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 ALDH1A1 1939/4885L3MBTL1 2853/4885CYP1A2 1928/4885

“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.