SCHEMBL334828

SCHEMBL334828

CC1(C)COC(c2cccc(CBr)c2)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNA4 P22459 1/20 0.35
KCNA1 Q09470 1/20 0.35
KCNAB1 Q14722 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
SOAT1 P35610 1/20 0.33
BRD4 O60885 1/20 0.32
HTT P42858 3/20 0.32
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 2/20 0.31
MAPT P10636 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31

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
SCHEMBL22436585 0.84 SMN1; SMN2 (0.42) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL8022584 0.82 ALDH1A1 (0.37) MEN1KMT2ACYP2C19SMN1; SMN2RAB9A
SCHEMBL334680 0.80 NPC1 (0.45) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL3105747 0.79 KDM1A (0.43) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL22436631 0.79 CYP4F2 (0.41) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL9946117 0.77 KMT2A (0.44) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL7255668 0.76 NPC1 (0.45) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL22436542 0.76 SMN1; SMN2 (0.45) CYP2C19SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL22436578 0.74 NPC1 (0.43) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL8608558 0.74 MEN1 (0.69) MEN1KMT2ACYP2C19SMN1; SMN2NPC1

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 MEN1 2456/4885KMT2A 939/4885CYP2C19 262/4885

“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.