SCHEMBL3360577

SCHEMBL3360577

C=CCN(CC=C)C(=C)CCl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11812020 0.76 ALDH1A1 (0.39) ALDH1A1CYP1A2
SCHEMBL11498930 0.74 ALDH1A1 (0.42) ALDH1A1CYP1A2SMN1; SMN2
N,N-Diallyl-2-Chloroacetamide SCHEMBL53540 0.74 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2
SCHEMBL2489450 0.74 ALDH1A1 (0.38) ALDH1A1
N,N-Diallyl-2-Chloroacetamide SCHEMBL4886939 0.74 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2
N,N-Diallyl-2-Chloroacetamide SCHEMBL20819425 0.72 ALDH1A1 (0.58) ALDH1A1TDP1SMN1; SMN2
SCHEMBL21574302 0.72 ALDH1A1 (0.41) ALDH1A1CYP1A2
SCHEMBL22039124 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10926107 0.72 ALDH1A1 (0.52) ALDH1A1TDP1SMN1; SMN2
N,N-Diallyl-2-Chloroacetamide SCHEMBL8953543 0.72 ALDH1A1 (0.58) ALDH1A1TDP1SMN1; SMN2

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-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 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-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 ALDH1A1 2563/4885HSD17B10 2368/4885TDP1 2413/4885

“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.