SCHEMBL4560490

SCHEMBL4560490

O=c1cc[nH]n1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MPL P40238 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL7252767 0.76 ALDH1A1 (0.59) HCAR1ALDH1A1KMT2AHTTHSD17B10
SCHEMBL11094674 0.72 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL5378943 0.70 KMT2A (0.46) HCAR1ALDH1A1KMT2AHTTHSD17B10
SCHEMBL9040846 0.70 MAPT (0.41) HCAR1ALDH1A1KMT2ALMNAMAPK1
SCHEMBL4071522 0.70 SMN1; SMN2 (0.49) HCAR1ALDH1A1KMT2AHTTHSD17B10
SCHEMBL11862671 0.68 HCAR1 (0.47) HCAR1ALDH1A1KMT2AHTTHSD17B10
SCHEMBL710745 0.68 TLR9 (0.59) ALDH1A1KMT2AHTTHSD17B10LMNA
SCHEMBL29510755 0.68 TLR9 (0.59) ALDH1A1KMT2AHTTHSD17B10LMNA
SCHEMBL1274938 0.67 HTT (0.73) ALDH1A1KMT2AHTTLMNAMAPK1
SCHEMBL1320968 0.67 GRIK1 (0.49) HCAR1ALDH1A1KMT2AHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038263-B1 NOVEL AROMATIC AZA HETEROCYCLES, METHOD OF PRODUCTION AND USE OF THE MATERIAL IN ORGANIC ELECTRONICS OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2014-03-05 — — EP disclosed
US-8232393-B2 Aromatic AZA heterocycles, method of production and use of the material in organic electronics OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2012-07-31 — — US disclosed
US-20090318691-A1 Novel Aromatic AZA Heterocycles, Method of Production and Use of the Material in Organic Electronics OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2009-12-24 — — US disclosed
EP-0521019-A1 PYRAZOLO 1,5-a]BENZIMIDAZOLE PHOTOGRAPHIC COLOUR COUPLERS KODAK LIMITED (GB) 1993-01-07 — — EP disclosed
WO-1991014970-A1 PYRAZOLO[1,5-a]BENZIMIDAZOLE PHOTOGRAPHIC COLOUR COUPLERS KODAK LIMITED (GB) 1991-10-03 — — 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-20090318691-A1 Novel Aromatic AZA Heterocycles, Method of Production and Use of the Material in Organic Electronics SLC25A21, AOC2, SLC19A1 HCAR1 3533/4885ALDH1A1 728/4885KMT2A 1285/4885

“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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