SCHEMBL17406611

SCHEMBL17406611

O=[N+]([O-])c1ccccc1-c1cc2c3ccccc3n(-c3ccccc3)c2c2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAOB P27338 1/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 4/20 0.37
▸ F2 P00734 1/20 0.37
▸ C1R P00736 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36

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
SCHEMBL16275781 0.94 ALDH1A1 (0.45) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL17022454 0.83 KDM4E (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL23436638 0.79 LMNA (0.39) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL19045569 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL17861293 0.78 KDM4E (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL16276010 0.77 ALDH1A1 (0.54) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL20175541 0.77 SIRT2 (0.38) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL20175545 0.77 KDM4E (0.43) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL17451748 0.76 ALDH1A1 (0.53) ALDH1A1LMNAMAOBMEN1KMT2A
SCHEMBL16862709 0.75 TDP1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT

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-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 — — US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 — — US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 — — US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 — — 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALDH1A1 1348/4885LMNA 2015/4885MAOB 1851/4885

“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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