SCHEMBL3754503

SCHEMBL3754503

CCCCCC(CCN)(NC(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
KIF11 P52732 3/20 0.39
NAAA Q02083 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL19612843 0.76 L3MBTL1 (0.44) SCN5ASCN9AMAPTKMT2AL3MBTL1
SCHEMBL17715572 0.76 CYP1A2 (0.47) GAASCN5ASCN9AKIF11CYP1A2
SCHEMBL27582506 0.75 SCN5A (0.45) GAASCN5ASCN9AKIF11NAAA
SCHEMBL7199633 0.74 ALDH1A1 (0.43) CYP3A4MAPTKMT2AMAPK1HTT
SCHEMBL27710697 0.74 SCN5A (0.44) GAASCN5ASCN9ACYP1A2KMT2A
SCHEMBL25436343 0.74 KMT2A (0.35) GAAKIF11CYP1A2CYP3A4RECQL
SCHEMBL13946533 0.73 MAPT (0.47) GAASCN5ASCN9ARECQLMAPT
SCHEMBL19331570 0.72 KIF11 (0.43) GAASCN5ASCN9AKIF11NAAA
SCHEMBL10439506 0.72 GAA (0.44) GAASCN5ASCN9AKIF11CYP1A2
SCHEMBL6258957 0.72 SCN5A (0.69) GAASCN5ASCN9AKIF11MAPT

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 GAA 953/4885SCN5A 1893/4885SCN9A 2433/4885

“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.