SCHEMBL6071535

SCHEMBL6071535

COC(=O)CC(c1ccc2ccccc2n1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
ADAMTS4 O75173 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL6070890 0.83 L3MBTL1 (0.49) SMN1; SMN2OPRM1OPRK1TMEM97SIGMAR1
SCHEMBL6321614 0.72 MEN1 (0.49) SMN1; SMN2OPRM1SIGMAR1KDM4EMEN1
SCHEMBL6321619 0.72 MEN1 (0.49) SMN1; SMN2OPRM1SIGMAR1KDM4EMEN1
SCHEMBL25663392 0.72 MEN1 (0.49) SMN1; SMN2OPRM1SIGMAR1KDM4EMEN1
SCHEMBL6070394 0.72 TSHR (0.42) SMN1; SMN2KDM4EMEN1KMT2ANPC1
SCHEMBL6071145 0.71 TACR3 (0.44) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL14482223 0.71 EPOR (0.44) KDM4EMEN1KMT2AL3MBTL1NPC1
SCHEMBL14482225 0.71 EPOR (0.44) KDM4EMEN1KMT2AL3MBTL1NPC1
SCHEMBL6321241 0.70 TNF (0.52) L3MBTL1ALDH1A1
SCHEMBL13657503 0.70 MAOB (0.45) KDM4EMEN1KMT2ANPC1GAA

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 2 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 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 SMN1; SMN2 2744/4885OPRM1 1993/4885OPRK1 1797/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 SMN1; SMN2 3192/4885OPRM1 1749/4885OPRK1 1306/4885

“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.