SCHEMBL9913722

SCHEMBL9913722

CCCCNc1nc(NCCCC)nc(N2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 4/20 0.53
ESR2 Q92731 4/20 0.53
HRH4 Q9H3N8 1/20 0.49
FLT3 P36888 1/20 0.48
TYRO3 Q06418 1/20 0.48
MERTK Q12866 1/20 0.48
GAS6 Q14393 1/20 0.48
ROCK1 Q13464 2/20 0.47
POLB P06746 1/20 0.47
GBA1 P04062 1/20 0.46
TSHR P16473 1/20 0.46
CETP P11597 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH1 P35367 1/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL14725034 0.94 KMT2A (0.50) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL7625308 0.90 LMNA (0.68) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL1562474 0.88 KMT2A (0.47) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL9913727 0.85 LMNA (0.75) KMT2ALMNAMEN1POLBGBA1
SCHEMBL7774642 0.84 LMNA (0.73) KMT2ALMNAMEN1POLBGBA1
SCHEMBL8054058 0.81 TSHR (0.68) KMT2ALMNAMEN1GBA1TSHR
SCHEMBL8050942 0.78 LMNA (0.69) KMT2ALMNAMEN1POLBGBA1
SCHEMBL14725040 0.77 TSHR (0.61) KMT2ALMNAMEN1GBA1TSHR
SCHEMBL8057246 0.76 TSHR (0.64) KMT2ALMNAMEN1GBA1TSHR
SCHEMBL7774828 0.76 LMNA (0.65) KMT2ALMNAMEN1POLBGBA1

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 KMT2A 799/4885LMNA 1956/4885MEN1 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.