SCHEMBL6070725

SCHEMBL6070725

COC(=O)CC(NC(C)c1ccccc1)c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 1/20 0.40
TACR3 P29371 1/20 0.40
CA12 O43570 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
SCHEMBL4858585 0.80 KCNA5 (0.49) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL6071098 0.75 RAB9A (0.54) ALDH1A1LMNAPOLBRAB9AMAOB
SCHEMBL6071175 0.74 TACR3 (0.45) ALDH1A1RAB9AKMT2AKDM4ETACR3
SCHEMBL6071145 0.74 TACR3 (0.44) ALDH1A1KDM4EHPGDTACR3CA12
SCHEMBL4851208 0.73 SIGMAR1 (0.53) ALDH1A1MEN1KMT2AHPGDCA12
SCHEMBL20577929 0.73 SIGMAR1 (0.53) ALDH1A1MEN1KMT2AHPGDCA12
SCHEMBL8119650 0.73 SIGMAR1 (0.53) ALDH1A1MEN1KMT2AHPGDCA12
SCHEMBL4855386 0.71 KCNA5 (0.48) ALDH1A1MEN1KMT2AHPGDCA12
SCHEMBL4846869 0.71 METAP2 (0.47) ALDH1A1LMNAMEN1KMT2ATACR3
SCHEMBL13674818 0.70 POLB (0.49) ALDH1A1LMNAPOLBMEN1KMT2A

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US claimed
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 ALDH1A1 645/4885LMNA 2091/4885THRB 3709/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 ALDH1A1 414/4885LMNA 1115/4885THRB 2447/4885

“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.