SCHEMBL10102519

SCHEMBL10102519

CCc1c([N+](=O)[O-])ncn1CCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.38
GAA P10253 3/20 0.37
RAB9A P51151 1/20 0.34
NLRP1 Q9C000 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL869030 0.86 CYP2C19 (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL27830717 0.84 KDM4E (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL24000867 0.83 KDM4E (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL27830719 0.80 CYP2C19 (0.39) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL14713520 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL10102518 0.76 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL13001465 0.74 ALDH1A1 (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL14714247 0.72 KDM4E (0.43) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL26695807 0.70 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL26695508 0.69 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHTTSMN1; 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-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ALDH1A1 3257/4885PDE4A 1127/4885PDE4B 1193/4885

“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.