SCHEMBL10102518

SCHEMBL10102518

[C-]#[N+]CCn1cnc([N+](=O)[O-])c1CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.38
ATM Q13315 1/20 0.36
CYP2C19 P33261 2/20 0.35
RAB9A P51151 1/20 0.35
NLRP1 Q9C000 1/20 0.35
HPGD P15428 1/20 0.33
GFER P55789 2/20 0.33
CYP2C9 P11712 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
SCHEMBL14713520 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHTTLMNABLM
SCHEMBL10102519 0.76 ALDH1A1 (0.41) ALDH1A1MAPTHTTLMNABLM
SCHEMBL13001465 0.75 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNABLM
SCHEMBL26695807 0.71 ALDH1A1 (0.39) ALDH1A1MAPTHTTLMNABLM
SCHEMBL26695508 0.70 ALDH1A1 (0.38) ALDH1A1MAPTHTTLMNABLM
SCHEMBL14714247 0.70 KDM4E (0.43) ALDH1A1MAPTHTTLMNABLM
SCHEMBL14696790 0.70 KDM4E (0.47) ALDH1A1MAPTHTTLMNABLM
Iodide SCHEMBL14696245 0.70 KDM4E (0.44) ALDH1A1MAPTHTTLMNABLM
SCHEMBL14713556 0.66 KDM4E (0.43) ALDH1A1MAPTHTTLMNABLM
SCHEMBL7557473 0.64 ATM (0.56) ALDH1A1MAPTHTTLMNABLM

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 3257/4885MAPT 3315/4885HTT 3450/4885

“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.