SCHEMBL335053

SCHEMBL335053

CC(NCCN)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
PTK2B Q14289 2/20 0.47
ADRA2C P18825 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
HDAC3 O15379 6/20 0.43
HDAC8 Q9BY41 6/20 0.43
NCF1 P14598 1/20 0.41
CHKA P35790 1/20 0.40
HTR6 P50406 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RORC P51449 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
SIRT6 Q8N6T7 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
SCHEMBL335243 0.82 RORC (0.42) RORCCHRM2HTR1AADRA2AADORA3
SCHEMBL18575578 0.79 HTR1A (0.50) ALDH1A1MAPTKMT2AHTR6HTT
SCHEMBL10244023 0.78 HDAC3 (0.46) ALDH1A1GAAKMT2AHDAC3HDAC8
SCHEMBL28329035 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTPTK2B
SCHEMBL14146896 0.74 MAPT (0.60) ALDH1A1KDM4EGAAMAPTPTK2B
SCHEMBL2427568 0.74 MAPT (0.60) ALDH1A1KDM4EGAAMAPTPTK2B
SCHEMBL21388627 0.74 MAPT (0.60) ALDH1A1KDM4EGAAMAPTPTK2B
SCHEMBL101926 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EGAAMAPTPTK2B
SCHEMBL15722262 0.73 NCF1 (0.57) ALDH1A1KDM4EGAAMAPTPTK2B
Hydrochloric Acid SCHEMBL21378535 0.73 MAPT (0.58) ALDH1A1KDM4EGAAMAPTPTK2B

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 1939/4885KDM4E 128/4885GAA 551/4885

“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.