SCHEMBL14019404

SCHEMBL14019404

CC(S)NCc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LTA4H P09960 1/20 0.50
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 1/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSL P07711 1/20 0.46

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
SCHEMBL104748 0.85 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL10864606 0.83 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL4051277 0.82 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL8009779 0.82 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL6645277 0.81 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL171029 0.81 CYP1A2 (0.56) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL17605676 0.80 CYP1A2 (0.51) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL13995928 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL30729674 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H
SCHEMBL8010098 0.79 CYP1A2 (0.55) CYP1A2CYP2D6ALDH1A1NPSR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
EP-1988080-A1 Insecticidal substituted 2-aminoindanes Bayer CropScience AG (DE) 2008-11-05 EP 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM CYP1A2 3640/4885CYP2D6 297/4885ALDH1A1 4673/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM CYP1A2 3640/4885CYP2D6 297/4885ALDH1A1 4673/4885

“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.