SCHEMBL427149

SCHEMBL427149

C#CCCN(CCC#N)c1nc(N(CCC#N)CCC#N)nc(N(CCC#N)CCC#N)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CRHR1 P34998 3/20 0.36
TDP1 Q9NUW8 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
SCHEMBL469847 0.89 MAPT (0.48) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL9393689 0.77 TSHR (0.39) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL8418660 0.76 CRHR1 (0.52) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL31379937 0.71 ALDH1A1 (0.50) TSHRALDH1A1CRHR1
SCHEMBL9389686 0.71 TSHR (0.35) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL427141 0.70 TSHR (0.38) MAPTSMN1; SMN2TSHRTDP1
SCHEMBL10731367 0.67 ALDH1A1 (0.38) MAPTSMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL469797 0.64 TSHR (0.44) MAPTSMN1; SMN2TSHRALDH1A1CRHR1
SCHEMBL103174 0.62
SCHEMBL20364830 0.61 LCK (0.43) ALDH1A1TDP1

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 1298/4885TSHR 587/4885

“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.