SCHEMBL335431

SCHEMBL335431

COc1cc(C(C)NCCN)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.57
BLM P54132 2/20 0.56
PMP22 Q01453 1/20 0.56
SLC22A3 O75751 1/20 0.56
TSHR P16473 3/20 0.51
CYP3A4 P08684 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
BCHE P06276 1/20 0.46
TYR P14679 1/20 0.46
ACHE P22303 1/20 0.46
FOS P01100 1/20 0.45
TTR P02766 1/20 0.45
JUN P05412 1/20 0.45
NR3C1 P04150 1/20 0.45
HSD17B1 P14061 1/20 0.45

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
SCHEMBL10244323 0.81 SLC22A3 (0.51) NFKB1BLMPMP22SLC22A3TSHR
SCHEMBL336033 0.80 PRKCE (0.37) NFKB1BLMPMP22SLC22A3TSHR
SCHEMBL16564149 0.76 NFKB1 (0.71) NFKB1BLMPMP22SLC22A3TSHR
SCHEMBL15130944 0.75 CASR (0.67) NFKB1SLC22A3TSHRCYP3A4GAA
SCHEMBL18575578 0.75 HTR1A (0.50) CYP3A4LMNANPSR1
SCHEMBL18575437 0.74 PKM (0.57) TAAR1GAALMNAACHE
SCHEMBL335409 0.74 PKM (0.45) TAAR1LMNABCHEACHE
SCHEMBL335144 0.74 ESR1 (0.45) NFKB1BLMTSHRCYP3A4TAAR1
SCHEMBL714835 0.74 NFKB1 (0.62) NFKB1BLMPMP22SLC22A3TSHR
SCHEMBL1753786 0.74 NFKB1 (0.62) NFKB1BLMPMP22SLC22A3TSHR

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 NFKB1 1851/4885BLM 2424/4885PMP22 3484/4885

“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.