SCHEMBL1666034

SCHEMBL1666034

COc1ccccc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.46
MAPT P10636 8/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TLR8 Q9NR97 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
MBD2 Q9UBB5 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA2A P29274 2/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
SERPINE1 P05121 1/20 0.42

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
SCHEMBL1666611 0.89 KEAP1 (0.48) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5053775 0.85 TLR8 (0.50) ALDH1A1MEN1KMT2AMAPK1TLR8
Hydrochloric Acid SCHEMBL1666361 0.84 TLR8 (0.52) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1668543 0.84 TLR8 (0.51) MEN1KMT2AMAPK1LMNATLR8
SCHEMBL1666165 0.84 TLR8 (0.53) MAPTALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL1666047 0.84 TLR8 (0.54) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1666616 0.83 TLR8 (0.47) ALDH1A1MEN1KMT2AMAPK1TLR8
SCHEMBL1666362 0.81 HTT (0.44) MAPTMEN1KMT2AHTTTLR8
SCHEMBL1666215 0.81 TLR8 (0.46) ALDH1A1MEN1KMT2AMAPK1TLR8
Hydrochloric Acid SCHEMBL1666211 0.80 TLR8 (0.50) MAPTALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US claimed
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US disclosed
EP-1917251-B1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-08-25 US disclosed
EP-2308852-A1 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-04-13 EP disclosed
EP-1917251-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022947-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 SLC29A1 792/4885MAPT 1760/4885ALDH1A1 1430/4885
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors HTR5A, HTR3A, HTR6 SLC29A1 792/4885MAPT 1760/4885ALDH1A1 1430/4885

“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.