SCHEMBL1700862

SCHEMBL1700862

Cc1ccc(N)nc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 7/20 0.44
TSHR P16473 6/20 0.44
CYP3A4 P08684 3/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 4/20 0.41
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
GABRA4 P48169 1/20 0.40
GABRE P78334 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
SCHEMBL31129879 0.80 S1PR4 (0.44) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL109187 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1GAA
SCHEMBL30078658 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1GAA
SCHEMBL799663 0.79 ALDH1A1 (0.53) ALDH1A1MAPT
SCHEMBL1923229 0.76 BACE1 (0.37) ALDH1A1CYP3A4TDP1GABRPGABRD
SCHEMBL10309700 0.76 MAPT (0.40) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL31481290 0.76 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL15530461 0.73 GABRP (0.55) ALDH1A1TSHRCYP3A4TDP1GABRP
SCHEMBL539616 0.72 NOS3 (0.48) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL30875970 0.72 NOS3 (0.48) NOS3NOS1NOS2ALDH1A1TSHR

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
EP-2566849-B1 8-HYDROXY-QUINOLINE DERIVATIVES AVIDIN KUTATO FEJLESZTOE ES KERESKEDELMI KORLATOLT FELELOESSEGUE TARSASAG (HU) 2019-09-18 EP disclosed
CN-102985407-B 8-hydroxy-quinoline derivatives "AVIDIN" KUTATO, FEJLESZTO ES KERESKEDELMI KORLATOLT FELELOSSEGU TARSASAG (HU) 2015-09-09 CN disclosed
US-8871937-B2 8-hydroxy-quinoline derivatives “AVIDIN” Kutato, Fejleszto es Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2014-10-28 US disclosed
US-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES UBICHEM KUTATO KORLATOLT FELELOSSEGU TARSASAG (HU) 2013-05-23 US disclosed
CN-102985407-A 8-hydroxy-quinoline derivatives AVIDIN KUTATO FEJLESZTO ES KERESKEDELMI KORLATOLT FELELOSSEGU TARSASAG 2013-03-20 CN disclosed
EP-2566849-A1 8-HYDROXY-QUINOLINE DERIVATIVES "Avidin" Kutató, Fejleszt És Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2013-03-13 EP disclosed
WO-2011148208-A1 8-HYDROXY-QUINOLINE DERIVATIVES "AVIDIN" KUTATÓ, FEJLESZTŐ ÉS KERESKEDELMI KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-12-01 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 (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-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES CYP2C8, NQO1, KEAP1 NOS3 886/4885NOS1 1837/4885NOS2 1302/4885

“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.