SCHEMBL2783128

SCHEMBL2783128

CCNc1nc(NCC)nc(NN2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2783120 0.82 KMT2A (0.47) MEN1KMT2ALMNANPSR1
SCHEMBL9913696 0.76 MEN1 (0.76) POLBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1034033 0.75 LMNA (0.74) GAAPOLBMEN1KMT2ALMNA
SCHEMBL8611070 0.74 MEN1 (0.79) GAAPOLBMEN1KMT2ALMNA
SCHEMBL2784422 0.72 GAA (0.41) GAAMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11741238 0.72 LMNA (0.70) GAAPOLBMEN1KMT2ALMNA
SCHEMBL11145527 0.71 LMNA (0.65) GAAPOLBMEN1KMT2ALMNA
SCHEMBL13784260 0.71 MEN1 (0.68) POLBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23175171 0.69 NUDT1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5554503 0.68 NUDT1 (0.38) LMNASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
EP-2078715-A1 PROTON CONDUCTING COMPOUND AND PROTON CONDUCTING POLYMER Nippon Steel Chemical Co., Ltd. (JP) 2009-07-15 EP 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 GAA 4346/4885POLB 3404/4885MEN1 27/4885

“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.