SCHEMBL334300

SCHEMBL334300

CC(NCCN)c1ccc(O)c(CN2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.52
ACHE P22303 2/20 0.50
TSHR P16473 3/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL336028 0.83 KDM4E (0.53) TSHRALDH1A1PKMHTT
SCHEMBL10244421 0.82 CACNA1B (0.52) CACNA1BACHETSHRGFERLMNA
SCHEMBL335108 0.82 KDM4E (0.51) CACNA1BTSHRLMNAALDH1A1PKM
SCHEMBL336033 0.76 PRKCE (0.37) TSHRLMNAALDH1A1CYP1A2CYP2D6
SCHEMBL336000 0.74 PRKCI (0.51) CACNA1BACHEALDH1A1CYP1A2CYP2D6
SCHEMBL335840 0.72 HTT (0.44) LMNAALDH1A1HTTGAAHSD17B10
SCHEMBL10243726 0.70 L3MBTL1 (0.52) CACNA1BTSHRALDH1A1PKMHTT
SCHEMBL335431 0.70 NFKB1 (0.57) ACHETSHRLMNAMAPK1GAA
SCHEMBL4040712 0.70 TSHR (0.66) CACNA1BACHETSHRGFERLMNA
SCHEMBL10243930 0.68 L3MBTL1 (0.50) TSHRALDH1A1PKMHTT

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 CACNA1B 4003/4885ACHE 1324/4885TSHR 1567/4885

“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.