SCHEMBL24075868

SCHEMBL24075868

COCCOCCOCCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.56
KMT2A Q03164 10/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 7/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
MAPK1 P28482 1/20 0.42
MDM2 Q00987 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL17099820 1.00 APP (0.56) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL17099897 1.00 APP (0.56) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL18204846 1.00 APP (0.56) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL18220155 0.95 APP (0.51) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL25609425 0.92 KMT2A (0.49) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL25606408 0.88 APP (0.47) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL18220164 0.88 APP (0.51) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL18220156 0.87 ALDH1A1 (0.56) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL29949416 0.85 APP (0.76) APPKMT2ARXFP1MEN1ALDH1A1
SCHEMBL17595997 0.85 APP (0.76) APPKMT2ARXFP1MEN1ALDH1A1

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-20210369873-A1 COMPOSITIONS AND METHODS FOR DETECTION OF TRAUMATIC BRAIN INJURY Amydis, Inc. 2021-12-02 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-20210369873-A1 COMPOSITIONS AND METHODS FOR DETECTION OF TRAUMATIC BRAIN INJURY S100B, FABP7, CRYAB APP 4/4885KMT2A 4867/4885RXFP1 3769/4885

“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.