SCHEMBL17406614

SCHEMBL17406614

Cc1ccc(-c2ccccc2[N+](=O)[O-])c2c1oc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAOB P27338 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40

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
SCHEMBL17406610 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAOBMAPTMEN1
SCHEMBL17706811 0.82 ALDH1A1 (0.58) ALDH1A1LMNAMAOBMAPTMEN1
SCHEMBL17412028 0.80 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL26430962 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAOBMAPTMEN1
SCHEMBL17451748 0.79 ALDH1A1 (0.53) ALDH1A1LMNAMAOBHSD17B10MAPT
SCHEMBL782755 0.77 ALDH1A1 (0.57) ALDH1A1LMNAMAOBMAPTMEN1
SCHEMBL29506802 0.77 ALDH1A1 (0.57) ALDH1A1LMNAMAOBMAPTMEN1
SCHEMBL16276010 0.77 ALDH1A1 (0.54) ALDH1A1LMNAMAOBHSD17B10MAPT
SCHEMBL18357064 0.77 ALDH1A1 (0.51) ALDH1A1LMNAMAOBMAPTMEN1
SCHEMBL19573711 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAOBMAPTMEN1

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-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

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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