SCHEMBL9913749

SCHEMBL9913749

C=CC(=O)OCCNc1nc(NCCCC)nc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GBA1 P04062 8/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.40
KMT5A Q9NQR1 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
SCHEMBL9913717 0.86 TSHR (0.56) KMT2AGBA1TSHRHPGDALDH1A1
SCHEMBL14725042 0.83 TSHR (0.49) LMNAMEN1KMT2AMAPK1TSHR
SCHEMBL9913727 0.79 LMNA (0.75) LMNAMEN1KMT2AGBA1POLB
SCHEMBL9913725 0.79 TSHR (0.57) KMT2ATSHRHPGDALDH1A1
SCHEMBL7774828 0.73 LMNA (0.65) LMNAMEN1KMT2AGBA1POLB
SCHEMBL28887997 0.69 TSHR (0.43) MAPK1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL7776363 0.69 LMNA (0.57) LMNAMEN1KMT2AGBA1POLB
SCHEMBL22356322 0.68 L3MBTL1 (0.51) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL9913752 0.68 TSHR (0.53) KMT2AGBA1POLBTSHRALDH1A1
SCHEMBL13137607 0.68 TSHR (0.42) LMNAKMT2AMAPK1TSHRHPGD

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 4 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-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 LMNA 1956/4885MEN1 27/4885KMT2A 799/4885

“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.