SCHEMBL3681633

SCHEMBL3681633

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.42
F2 P00734 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL3543909 0.79 CHRNA4 (0.43) KMT2AKDM4EMAPTF2ALDH1A1
SCHEMBL3674345 0.76 ALDH1A1 (0.50) MAPTALDH1A1HPGDNPSR1NPC1
SCHEMBL979643 0.73 PRSS1 (0.40) KMT2ATSHRMAPTHTTALDH1A1
SCHEMBL7285650 0.72 KMT2A (0.58) KMT2ATSHRKDM4EMEN1MAPT
SCHEMBL982584 0.72 KDM4E (0.61) KMT2ATSHRKDM4EMEN1MAPT
SCHEMBL1800956 0.71 PTPRF (0.44) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL300884 0.71 CA12 (0.42) KMT2AKDM4EMEN1MAPTGLA
SCHEMBL3685840 0.71 ALOX5 (0.43) KMT2ATSHRMEN1ALDH1A1NPSR1
SCHEMBL22046411 0.71 HDAC4 (0.54) KMT2AKDM4EMEN1MAPTHTT
SCHEMBL3688463 0.71 HTT (0.61) KMT2ATSHRKDM4EMEN1HTT

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 KMT2A 662/4885TSHR 4316/4885KDM4E 1405/4885

“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.