SCHEMBL10243950

SCHEMBL10243950

COC(=O)NCCNC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 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
SCHEMBL30937671 0.80 ALDH1A1 (0.57) ALDH1A1POLBCYP2C19CYP1A2TSHR
SCHEMBL10244611 0.80 HPGD (0.49) POLBSMN1; SMN2LMNANPSR1HPGD
SCHEMBL10243952 0.80 POLB (0.51) ALDH1A1POLBTSHRSMN1; SMN2LMNA
SCHEMBL10244235 0.79 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2NPC1LMNA
SCHEMBL335672 0.78 KAT2B (0.47) ALDH1A1POLBCYP2C19CYP1A2TSHR
SCHEMBL10243981 0.77 ALDH1A1 (0.48) ALDH1A1POLBCYP2C19CYP1A2TSHR
SCHEMBL10243808 0.76 HCRTR1 (0.50) CYP2C19TSHRSMN1; SMN2KMT2AGAA
SCHEMBL10243765 0.76 KMT2A (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL28496382 0.76 RAB9A (0.49) ALDH1A1POLBCYP2C19CYP1A2TSHR
SCHEMBL5799452 0.73 ALDH1A1 (0.58) ALDH1A1POLBCYP1A2TSHRSMN1; 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 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 ALDH1A1 1939/4885POLB 3348/4885CYP2C19 262/4885

“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.