SCHEMBL3685296

SCHEMBL3685296

O=C(ON1C(=O)CCC1=O)c1ccc(-c2cccs2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
GLA P06280 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
HDAC1 Q13547 3/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL13857516 0.99 ALDH1A1 (0.51) ALDH1A1KDM4EGAALMNAL3MBTL1
SCHEMBL13857523 0.99 ALDH1A1 (0.51) ALDH1A1KDM4EGAALMNAL3MBTL1
SCHEMBL3685299 0.89 MGLL (0.34) ALDH1A1KDM4EGAALMNAL3MBTL1
SCHEMBL10456409 0.81 NPC1 (0.46) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL13857524 0.81 CES2 (0.39) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL13857528 0.77 PKM (0.42) ALDH1A1KDM4EGAALMNAL3MBTL1
SCHEMBL3680690 0.77 CES2 (0.47) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL13857529 0.76 KDM4E (0.31) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31055049 0.75 KDM4E (0.68) ALDH1A1KDM4EGAALMNAL3MBTL1
SCHEMBL13857530 0.74 KDM4E (0.32) ALDH1A1KDM4ENPC1RAB9A

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 4 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
US-20090137789-A1 Oligonucleotide Probes CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2009-05-28 US disclosed
US-20090137789-A1 Oligonucleotide Probes CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2009-05-28 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 (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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 ALDH1A1 236/4885KDM4E 1405/4885GAA 953/4885
US-20090137789-A1 Oligonucleotide Probes NCL, RNGTT, NSUN3 ALDH1A1 2227/4885KDM4E 4808/4885GAA 3102/4885

“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.