SCHEMBL335311

SCHEMBL335311

O=C(Cc1ccccc1Br)NCC[C@@H]1CO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HCRTR2 O43614 1/20 0.46
P2RX7 Q99572 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPK8 P45983 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 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
SCHEMBL336098 0.81 CA12 (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL334538 0.77 L3MBTL1 (0.55) KMT2ALMNAHPGDPOLB
SCHEMBL334404 0.76 NPC1 (0.47) CA12CA1CA2CA9NPC1
SCHEMBL334890 0.76 NPC1 (0.47) CA12CA1CA2CA9NPC1
SCHEMBL27893497 0.74 CA12 (0.54) CA12CA1CA2CA9NPC1
SCHEMBL16268539 0.72 CA12 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL11465666 0.72 TAAR1 (0.48) KMT2A
SCHEMBL27975503 0.71 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL4717861 0.71 CA12 (0.71) CA12CA1CA2CA9NPC1
SCHEMBL13865116 0.71 CA12 (0.58) CA12CA1CA2CA9NPC1

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 CA12 2721/4885CA1 3677/4885CA2 3065/4885

“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.