SCHEMBL15929419

SCHEMBL15929419

CCNC12CNCCNCC(NCc3ccc([N+](=O)[O-])cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CHRM2 P08172 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15928038 0.93 LOXL2 (0.46) MAPTLOXL2CHRM2PTPRFPTPN2
SCHEMBL15929703 0.92 LOXL2 (0.42) MAPTLOXL2CHRM2PTPRFPTPN2
SCHEMBL15928050 0.90 ACHE (0.47) MAPTLOXL2CHRM2PTPRFPTPN2
SCHEMBL15929461 0.90 LOXL2 (0.41) MAPTLOXL2CHRM2PTPRFPTPN2
SCHEMBL15913800 0.87 LOXL2 (0.44) MAPTLOXL2CHRM2PTPRFPTPN2
SCHEMBL22479280 0.79 MEN1 (0.38) MAPTCHRM2ALDH1A1KMT2AMEN1
SCHEMBL15929507 0.77 ALDH1A1 (0.38) MAPTLOXL2CHRM2PTPRFPTPN2
SCHEMBL15929407 0.76 LMNA (0.35) MAPTLOXL2ALDH1A1LMNA
SCHEMBL15929409 0.74 MGLL (0.48) MAPTALDH1A1LMNATDP1
SCHEMBL15929421 0.73 HDAC3 (0.41) MAPTALDH1A1KMT2AMEN1LMNA

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-20140219915-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2014-08-07 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-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 MAPT 3255/4885LOXL2 3192/4885CHRM2 2382/4885

“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.