SCHEMBL6512953

SCHEMBL6512953

O=[N+]([O-])c1cccnc1-c1ncccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.60
POLB P06746 1/20 0.58
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CTSB P07858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PAX8 Q06710 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL29940575 1.00 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL7841891 0.90 PDE10A (0.55) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL444703 0.86 ALDH1A1 (0.53) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL15631673 0.86 PDE10A (0.47) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL16387910 0.85 PDE10A (0.50) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL28567279 0.85 PDE10A (0.50) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1736168 0.82 MEN1 (0.57) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1738384 0.82 MAPT (0.52) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1736457 0.82 PAX8 (0.57) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL30269976 0.82 CYP2A6 (0.54) PDE10APOLBALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190131547-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2019-05-02 US disclosed
US-10249827-B2 Azadibenzofurans for electronic applications UDC IRELAND LIMITED (IE) 2019-04-02 US disclosed
US-20150243907-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2015-08-27 US disclosed
US-20150243907-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2015-08-27 US disclosed
WO-2015114102-A1 SILYL SUBSTITUTED AZADIBENZOFURANS AND AZADIBENZOTHIOPHENES BASF SE (DE) 2015-08-06 WO disclosed
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 US disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO 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 (3 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-20150243907-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS AZI2, BRPF1, CCNB1 PDE10A 2382/4885POLB 1668/4885ALDH1A1 547/4885
US-20190131547-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS AZI2, BRPF1, CCNB1 PDE10A 2382/4885POLB 1668/4885ALDH1A1 547/4885
US-10249827-B2 Azadibenzofurans for electronic applications AZI2, BRPF1, CCNB1 PDE10A 2382/4885POLB 1668/4885ALDH1A1 547/4885

“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.