SCHEMBL1968898

SCHEMBL1968898

O=c1c2c([nH]n1-c1ccccc1)CNCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.45
MPI P34949 1/20 0.45
KDM4E B2RXH2 1/20 0.41
HTR5A P47898 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL3532027 0.80 MEN1 (1.00) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL11269804 0.80 MEN1 (0.93) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL3535509 0.79 MEN1 (0.97) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL14150887 0.74 MEN1 (0.61) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL2306226 0.71 MEN1 (0.61) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL1968864 0.70 GABRA1 (0.36) MEN1KMT2AKDM4EHTR5ANISCH
SCHEMBL2345003 0.70 SLC6A5 (0.57) MEN1KMT2ATDP1ALDH1A1POLB
SCHEMBL2308349 0.68 MEN1 (0.57) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL2302421 0.67 MEN1 (0.56) MEN1KMT2AGAA
SCHEMBL2300585 0.67 MEN1 (0.56) MEN1KMT2ATDP1L3MBTL1ALDH1A1

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 MEN1 849/4885KMT2A 4236/4885TDP1 2582/4885

“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.