SCHEMBL9913696

SCHEMBL9913696

CCNc1nc(NCC)nc(N2CCCC2)n1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
LMNA P02545 5/20 0.76
NPSR1 Q6W5P4 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GBA1 P04062 4/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL8611070 0.98 MEN1 (0.79) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL13784260 0.93 MEN1 (0.68) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL11145527 0.92 LMNA (0.65) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL8054495 0.83 ALDH1A1 (0.78) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL9913727 0.82 LMNA (0.75) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL7774642 0.80 LMNA (0.73) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL8050942 0.78 LMNA (0.69) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL11811366 0.78 KMT2A (0.51) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL4132657 0.78 LMNA (0.76) MEN1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL2783128 0.76 GAA (0.52) MEN1KMT2ALMNANPSR1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562864-A1 Proton-conducting polymer Nippon Steel Chemical Co., Ltd. (JP) 2013-02-27 EP disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
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
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 MEN1 27/4885KMT2A 799/4885LMNA 1956/4885

“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.