SCHEMBL335896

SCHEMBL335896

N[C@](O)(CCO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA5A P35218 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
HSD11B1 P28845 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP19A1 P11511 1/20 0.41
CES1 P23141 1/20 0.40
IDO1 P14902 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PLAU P00749 1/20 0.40
RORC P51449 1/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL4404511 1.00 TSHR (0.49) TSHRCA1CA2CA5ACA9
SCHEMBL22577635 0.86 ALDH1A1 (0.49) TSHRCA1CA2CA5ACA9
SCHEMBL23728190 0.77 ALDH1A1 (0.50) TSHRCA1CA2CA5ACA9
SCHEMBL28688519 0.77 ALDH1A1 (0.50) TSHRCA1CA2CA5ACA9
SCHEMBL1988552 0.76 TSHR (0.49) TSHRCA1CA2CA5ACA9
Ethylene Glycol SCHEMBL28236042 0.74 TSHR (0.71) TSHRCA1CA2ALDH1A1POLB
SCHEMBL12982916 0.74 TSHR (0.50) TSHRCA1CA2CA5ACA9
SCHEMBL5684191 0.74 HSD11B1 (0.53) TSHRCA1CA2CA5ACA9
SCHEMBL5138761 0.73 ALDH1A1 (0.44) TSHRALDH1A1POLBHSD11B1GAA
SCHEMBL6574930 0.73 ALDH1A1 (0.56) TSHRCA1CA2CA5ACA9

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 2 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

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 TSHR 1567/4885CA1 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.