SCHEMBL428397

SCHEMBL428397

CCCCN(CCCN)c1nc(N(CCCN)CCCN)nc(N(CCCN)CCCN)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRHR1 P34998 3/20 0.41
DNM1 Q05193 8/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
SLC29A1 Q99808 2/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5355585 0.89 MAPT (0.50) MAPTSMN1; SMN2CRHR1MEN1KMT2A
SCHEMBL469846 0.89 MAPT (0.35) MAPTSMN1; SMN2DNM1TSHRSLC29A1
SCHEMBL21081373 0.84 MAPT (0.47) MAPTSMN1; SMN2CRHR1DNM1MEN1
Butylamine SCHEMBL6421996 0.83 CRHR1 (0.35) MAPTSMN1; SMN2CRHR1DNM1MEN1
SCHEMBL2535675 0.81 MAPT (0.48) MAPTSMN1; SMN2CRHR1DNM1TSHR
Ethylenediamine SCHEMBL7196307 0.80 CRHR1 (0.36) MAPTSMN1; SMN2CRHR1MEN1KMT2A
SCHEMBL12109976 0.80 CRHR1 (0.57) MAPTSMN1; SMN2CRHR1MEN1KMT2A
SCHEMBL21427481 0.79 SLC29A1 (0.47) SMN1; SMN2CRHR1KMT2ASLC29A1CYP1A2
SCHEMBL11798265 0.79 SLC29A1 (0.43) SMN1; SMN2CRHR1KMT2ASLC29A1CYP1A2
SCHEMBL523376 0.78 MAPT (0.42) MAPTSMN1; SMN2CRHR1MEN1KMT2A

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-20120063976-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME BATTELLE ENERGY ALLIANCE, LLC (US) 2012-03-15 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-20120063976-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME CHRM2, CHRM1, CHRM3 MAPT 3538/4885SMN1; SMN2 1298/4885CRHR1 560/4885

“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.