SCHEMBL3676358

SCHEMBL3676358

O=C(ON1C(=O)CCC1=O)c1ccc(COc2cccc3ccccc23)o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 6/20 0.51
POLB P06746 3/20 0.51
DAO P14920 1/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL3685840 0.77 ALOX5 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL3692613 0.76 KMT2A (0.60) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3684043 0.75 NPC1 (0.61) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL979643 0.74 PRSS1 (0.40) MAPTKMT2ASMN1; SMN2ALDH1A1DAO
SCHEMBL3692330 0.73 NPC1 (0.72) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3680687 0.72 NPC1 (0.67) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL26742181 0.72 KMT2A (0.38) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3689149 0.71 LMNA (0.41) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9391593 0.70 KMT2A (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3688463 0.68 HTT (0.61) MEN1KMT2ASMN1; SMN2LMNAKDM4E

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 MAPT 581/4885MEN1 3665/4885KMT2A 662/4885

“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.