SCHEMBL3754502

SCHEMBL3754502

CCCCCC(N)(CCNC(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.42
GAA P10253 1/20 0.41
EGFR P00533 1/20 0.41
EPHX1 P07099 3/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL11325146 0.82 KCNN4 (0.41) GAASCN5ASCN9AKIF11
SCHEMBL9005873 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL1262237 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL1260763 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL9005884 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL19513936 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL3453397 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL1260667 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL1262352 0.80 SCN5A (0.41) SCN5ASCN9AKIF11
SCHEMBL1262316 0.80 SCN5A (0.41) SCN5ASCN9AKIF11

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 NAAA 979/4885GAA 953/4885EGFR 3793/4885

“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.