SCHEMBL17211130

SCHEMBL17211130

N=c1ccccn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
HTT P42858 1/20 0.34
COMT P21964 1/20 0.34
CYP1A2 P05177 2/20 0.34
PKM P14618 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL22795386 0.74 SIGMAR1 (0.42) ATMALDH1A1KDM4EL3MBTL1SIGMAR1
SCHEMBL143175 0.72 ALDH1A1 (0.54) ATMALDH1A1KDM4EDDB1CRBN
SCHEMBL20390064 0.71 CYP2A6 (0.38) INMTKDM4EMEN1KMT2ACYP1A2
SCHEMBL11162666 0.70 RAB9A (0.46) ATMALDH1A1KDM4EDDB1CRBN
SCHEMBL11472166 0.65 DDB1 (0.39) ATMALDH1A1L3MBTL1SIGMAR1DDB1
SCHEMBL21859333 0.65 INMT (0.40) INMTATMALDH1A1KDM4EL3MBTL1
SCHEMBL20867730 0.65 ATM (0.44) ATMALDH1A1L3MBTL1DDB1CRBN
SCHEMBL12769723 0.65 ATM (0.44) ATMALDH1A1KDM4EL3MBTL1DDB1
SCHEMBL18365444 0.65 ATM (0.64) ATMALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL30763485 0.65 DDB1 (0.48) ATMALDH1A1KDM4EL3MBTL1SIGMAR1

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-20170229659-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2017-08-10 US disclosed
US-20150311450-A1 NEW COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-10-29 US disclosed
US-20150311450-A1 NEW COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-10-29 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-20150311450-A1 NEW COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC3, VDAC1 INMT 1256/4885ATM 4008/4885ALDH1A1 983/4885
US-20170229659-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, EED, VDAC3 INMT 1353/4885ATM 3978/4885ALDH1A1 1171/4885

“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.