SCHEMBL17445455

SCHEMBL17445455

Clc1ncnc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
CTRC Q99895 1/20 0.36
KMO O15229 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL21436898 0.91 GP6 (0.42) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29623745 0.89 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29623718 0.89 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL21295404 0.89 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9026332 0.88 LMNA (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL16441429 0.86 NPC1 (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL19512764 0.84 NPC1 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL25577208 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL22376112 0.81 GP6 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL18650161 0.81 KMO (0.45) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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 (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-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 ALDH1A1 1383/4885SMN1; SMN2 782/4885HPGD 3085/4885

“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.