SCHEMBL1968096

SCHEMBL1968096

CCc1cc2c(N3CCc4c([nH]n(C)c4=O)C3)nc(Cl)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
TMIGD3 P0DMS9 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 3/20 0.37
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL1969208 0.88 ALDH1A1 (0.42) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL1968657 0.86 SMN1; SMN2 (0.42) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL1969007 0.84 P2RY12 (0.46) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL13459960 0.81 HTR6 (0.39) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL1969160 0.80 HTR6 (0.39) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL13460048 0.79 HTR6 (0.37) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL12409637 0.78 GBA1 (0.45) HTR6KDM4ERAB9ANPC1POLB
SCHEMBL1968947 0.77 HTR6 (0.36) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL1972065 0.75 HTR6 (0.46) HTR6SMN1; SMN2KDM4ERAB9ATMIGD3
SCHEMBL1970586 0.74 HTR6 (0.49) HTR6SMN1; SMN2KDM4EHRH4HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 HTR6 3031/4885SMN1; SMN2 4439/4885KDM4E 3758/4885

“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.