SCHEMBL335982

SCHEMBL335982

O=C(Cc1cncc(Br)c1)NCC[C@@H]1CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL334404 0.81 NPC1 (0.47) KMT2AMAPT
SCHEMBL334890 0.81 NPC1 (0.47) KMT2AMAPT
SCHEMBL334538 0.80 L3MBTL1 (0.55) LMNAKMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9115930 0.75 KDM4E (0.46) DGAT2SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL5257553 0.74 LMNA (0.53) LMNAALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL334943 0.73 NPC1 (0.45) ALDH1A1GAA
SCHEMBL3515284 0.71 KDM4E (0.45) DGAT2SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL335311 0.69 CA12 (0.50) LMNAALDH1A1KMT2APOLB
SCHEMBL22575168 0.68 GAA (0.64) DGAT2LMNAGAAKMT2ASMN1; SMN2
SCHEMBL15015019 0.68 ECE1 (0.34) ALDH1A1KMT2ASMN1; SMN2

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 DGAT2 4362/4885LMNA 1467/4885ALDH1A1 1939/4885

“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.