SCHEMBL17952318

SCHEMBL17952318

Cc1cc(-c2ccccc2)ccc1N1c2cc(C#N)c(C#N)cc2N(C)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17952319 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EGLAGAAMAOA
SCHEMBL17952253 0.88 GABRA1 (0.37) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL17952339 0.85 KDM4E (0.34) ALDH1A1KDM4EGLAGAABRD4
SCHEMBL17952325 0.85 KDM4E (0.34) ALDH1A1KDM4EGLAGAABRD4
SCHEMBL17952196 0.84 SMN1; SMN2 (0.36) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL17947663 0.84 SMN1; SMN2 (0.36) ALDH1A1KDM4EGLAGAABRD4
SCHEMBL17952206 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EGLAGAAMAOA
SCHEMBL17952177 0.84 TSHR (0.41) ALDH1A1KDM4EGLAGAAMAOA
SCHEMBL17952274 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EGLAGAAMAOA
SCHEMBL17952492 0.83 SMN1; SMN2 (0.36) ALDH1A1KDM4EGLAGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
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 (2 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-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885GLA 1850/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885GLA 1850/4885

“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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