SCHEMBL10102702

SCHEMBL10102702

N#CCCn1cnc([N+](=O)[O-])c1/C=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TAAR1 Q96RJ0 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
NFE2L2 Q16236 1/20 0.36
FBP1 P09467 1/20 0.34
CASP6 P55212 1/20 0.34
CSNK2A1 P68400 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11452173 0.80 HPGD (0.44) TAAR1ALDH1A1MAPTHTTHPGD
SCHEMBL11452176 0.80 HPGD (0.44) TAAR1ALDH1A1MAPTHTTHPGD
SCHEMBL10108427 0.78 MAOA (0.38) LMNAMAOAMAOBALDH1A1HPGD
SCHEMBL7561946 0.77 ALDH1A1 (0.52) LMNATAAR1ALDH1A1MAPTHTT
SCHEMBL7561953 0.77 ALDH1A1 (0.52) LMNATAAR1ALDH1A1MAPTHTT
SCHEMBL10102709 0.72 LMNA (0.49) LMNAALDH1A1MAPTHTTCSNK2A1
SCHEMBL10102704 0.70 LMNA (0.44) LMNAALDH1A1MAPTHTTCSNK2A1
SCHEMBL10102699 0.70 LMNA (0.44) LMNAALDH1A1MAPTHTTCSNK2A1
SCHEMBL868452 0.70 LMNA (0.44) LMNAALDH1A1MAPTHTTCSNK2A1
SCHEMBL28794244 0.69 LMNA (0.46) LMNAALDH1A1MAPTHTTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406262-B1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2016-02-17 EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 US disclosed
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 (2 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 LMNA 1423/4885TAAR1 174/4885MAOA 1827/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K LMNA 1877/4885TAAR1 159/4885MAOA 1949/4885

“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.