SCHEMBL336098

SCHEMBL336098

O=C(Cc1cccc2ccccc12)NCC[C@@H]1CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTPN1 P18031 1/20 0.52
ATM Q13315 1/20 0.48

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
SCHEMBL335311 0.81 CA12 (0.50) CA12CA1CA2CA9HPGD
SCHEMBL6890681 0.79 CA12 (0.63) CA12CA1CA2CA3CA4
SCHEMBL10242936 0.77 PTPN1 (0.62) CA12CA1CA2CA3CA4
SCHEMBL28316286 0.77 CA12 (0.73) CA12CA1CA2CA3CA4
SCHEMBL28570819 0.75 PTPN1 (0.74) CA12CA1CA2CA3CA4
SCHEMBL7354821 0.75 CA12 (0.66) CA12CA1CA2CA3CA4
SCHEMBL9811720 0.74 CA12 (0.85) CA12CA1CA2CA3CA4
SCHEMBL7050745 0.74 SLC6A2 (0.63) TDP1
SCHEMBL10350149 0.73 MGLL (0.56) KMT2ATDP1
SCHEMBL31047588 0.73 CA12 (0.67) CA12CA1CA2CA3CA4

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.