SCHEMBL14509945

SCHEMBL14509945

CNc1ccc(Oc2ccc(N=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ HTT P42858 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADRA2A P08913 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL537959 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL15339364 0.82 TSHR (0.48) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL8808020 0.82 ADRA2A (0.48) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL761659 0.82 TSHR (0.48) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL9242348 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL24117207 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL28292418 0.74 ALDH1A1 (0.55) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL3686642 0.74 TSHR (0.59) ALDH1A1HTTTSHRCA9KMT2A
SCHEMBL10620953 0.74 LTA4H (0.57) ALDH1A1HSD17B10HTTTSHRCYP3A4
SCHEMBL13107871 0.74 MAPT (0.58) ALDH1A1HTTTDP1CA12CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 — — 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-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ALDH1A1 2244/4885HSD17B10 963/4885HTT 4560/4885

“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.

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