SCHEMBL18290913

SCHEMBL18290913

CC1N(c2ccccc2)C=NN1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ HPGD P15428 7/20 0.36
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ GLA P06280 6/20 0.36
▸ MAPT P10636 6/20 0.36
▸ GAA P10253 5/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ ATM Q13315 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ LOX P28300 1/20 0.33
▸ LOXL3 P58215 1/20 0.33
▸ LOXL4 Q96JB6 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ GFER P55789 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL12140369 0.80 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2AGLA
SCHEMBL12170156 0.69 MAOA (0.41) ALDH1A1HPGDMAPTGAAL3MBTL1
SCHEMBL10975391 0.66 ALDH1A1 (0.37) ALDH1A1HPGDMEN1KMT2AGLA
Hydrochloric Acid SCHEMBL11038033 0.65 ALDH1A1 (0.37) ALDH1A1HPGDMEN1KMT2AGLA
SCHEMBL9064559 0.64 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2AGLA
SCHEMBL14723973 0.64 ALDH1A1 (0.33) ALDH1A1HPGDMEN1KMT2AGLA
SCHEMBL5903097 0.64 CA12 (0.41) ALDH1A1HPGDMEN1KMT2AGLA
Iodide SCHEMBL9067656 0.63 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2AGLA
SCHEMBL1834758 0.63 MAOA (0.36) ALDH1A1HPGDMAPTGAAL3MBTL1
SCHEMBL18250336 0.63 MAOA (0.36) ALDH1A1HPGDMAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-08 — — 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-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OXA1L, MAL2, L1CAM ALDH1A1 680/4885HPGD 3570/4885MEN1 88/4885

“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.

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