SCHEMBL17952529

SCHEMBL17952529

C[C@H]1N(C)c2cccc(C#N)c2N1c1cccc(-c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ COMT P21964 1/20 0.32
▸ HPGD P15428 2/20 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
SCHEMBL17952321 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL17952531 0.90 SMN1; SMN2 (0.37) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL17952311 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EGAASMN1; SMN2HIF1A
SCHEMBL17952284 0.87 ALDH1A1 (0.35) ALDH1A1KDM4EGAAGLAFAAH
SCHEMBL17952235 0.87 SMN1; SMN2 (0.36) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL17952184 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL17952316 0.85 KMT2A (0.41) ALDH1A1KDM4EGAAGLAHIF1A
SCHEMBL17952196 0.84 SMN1; SMN2 (0.36) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL17952185 0.84 SMN1; SMN2 (0.36) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL17952297 0.81 ALDH1A1 (0.35) ALDH1A1KDM4EGAASMN1; SMN2HIF1A

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 1620/4885KDM4E 4426/4885GAA 2911/4885

“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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