SCHEMBL3688463

SCHEMBL3688463

O=C(ON1C(=O)CCC1=O)c1ccc(CN2CCOCC2)o1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HRH3 Q9Y5N1 3/20 0.50
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MGLL Q99685 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3501938 0.78 HTT (0.66) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL26742181 0.78 KMT2A (0.38) HTTALDH1A1NPSR1KDM4EMGLL
SCHEMBL1243301 0.77 HTT (1.00) HTTALDH1A1NPSR1HRH3KDM4E
Hydrochloric Acid SCHEMBL3500894 0.76 HTT (0.97) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL4136038 0.76 HTT (0.75) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL1286688 0.76 HTT (0.75) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL979643 0.74 PRSS1 (0.40) HTTALDH1A1NPSR1MGLLSMN1; SMN2
Hydrochloric Acid SCHEMBL3500984 0.74 HTT (0.73) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL25062750 0.73 HTT (0.71) HTTALDH1A1NPSR1HRH3KDM4E
SCHEMBL3685840 0.72 ALOX5 (0.43) ALDH1A1NPSR1MGLLSMN1; SMN2TSHR

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-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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO 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 HTT 1592/4885ALDH1A1 236/4885NPSR1 4738/4885

“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.