SCHEMBL17952158

SCHEMBL17952158

C[C@H]1N(C)C(C#N)=CN1c1cccc(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ FAAH O00519 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ USP30 Q70CQ3 6/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17952620 0.87 FAAH (0.34) ALDH1A1FAAHMGLLHRH3KDM4E
SCHEMBL17952468 0.87 IMPDH2 (0.32) HTT
SCHEMBL17952619 0.80 ALDH1A1 (0.33) ALDH1A1KDM4EGLAGAAUSP30
SCHEMBL17952167 0.80 USP30 (0.33) ALDH1A1KDM4EGLAGAAUSP30
SCHEMBL17952618 0.76 MGLL (0.37) ALDH1A1MGLLKDM4EHTR1AHTR7
SCHEMBL17952170 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EGAAUSP30MAPT
SCHEMBL17952184 0.71 ALDH1A1 (0.40) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL17952321 0.69 ALDH1A1 (0.38) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL17952529 0.69 ALDH1A1 (0.37) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL17952296 0.68 HTR2A (0.30) —

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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885FAAH 2479/4885HSP90AA1 4437/4885

“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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