SCHEMBL23922345

SCHEMBL23922345

N#CCCN1CN(CC#N)CN(CC#N)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
PKM P14618 1/20 0.56
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.33
GAA P10253 4/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21180911 0.89 ALDH1A1 (0.68) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL22725787 0.89 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL26506897 0.86 ALDH1A1 (0.43) ALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL6031551 0.84 ALDH1A1 (0.36) ALDH1A1PKMPOLB
SCHEMBL26936249 0.82 ALDH1A1 (0.39) ALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL13377043 0.80 ALDH1A1 (0.80) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL21500122 0.78 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL6375310 0.78 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL25800801 0.78 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL26505844 0.75 POLB (0.50) ALDH1A1PKMPOLBSMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177508-B2 Lithium-ion battery and apparatus CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2021-11-16 US disclosed
US-11152643-B2 2021-10-19 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 (2 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-11177508-B2 Lithium-ion battery and apparatus LMNB1, HVCN1, NAP1L1 ALDH1A1 1841/4885PKM 3850/4885POLB 339/4885
US-11152643-B2 HVCN1, NAP1L1, LMNB1 ALDH1A1 2037/4885PKM 3614/4885POLB 611/4885

“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.