SCHEMBL17014637

SCHEMBL17014637

Cc1ccccc1N1C=NN(C)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL19725777 0.74 ALDH1A1 (0.42) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL9891021 0.72 ALDH1A1 (0.37) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL11995094 0.72 ALDH1A1 (0.37) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL12643066 0.72 ALDH1A1 (0.37) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL23813506 0.70 ALDH1A1 (0.36) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL12349374 0.70 ALDH1A1 (0.36) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL22326768 0.69 ADRB1 (0.37) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL22781105 0.67 ALDH1A1 (0.44) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL12392996 0.67 ALDH1A1 (0.38) ALDH1A1HPGDMGLLSMN1; SMN2TSHR
SCHEMBL18876529 0.67 ALDH1A1 (0.36) ALDH1A1HPGDMGLLSMN1; SMN2TSHR

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-9847497-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-12-19 — — US disclosed
US-9847497-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-12-19 — — US disclosed
US-20150236279-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-20 — — US disclosed
US-20150236279-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-20 — — 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-20150236279-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, ZYX, LOXL1 ALDH1A1 2822/4885HPGD 2397/4885MGLL 186/4885

“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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