SCHEMBL11694170

SCHEMBL11694170

CC(=O)Nc1cc(N)ccc1N=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 4/20 0.44
▸ NOS1 P29475 2/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ HSP90AA1 P07900 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
SCHEMBL11694161 1.00 MAPT (0.49) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL14704207 0.89 MAPT (0.45) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11211658 0.83 RECQL (0.48) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11211648 0.83 RECQL (0.48) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11417957 0.82 MAPT (0.48) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11417961 0.82 MAPT (0.48) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL14004209 0.81 ENPP2 (0.60) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL19930482 0.81 ENPP2 (0.47) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11421726 0.79 MAPT (0.45) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL11421712 0.79 MAPT (0.45) MAPTKMT2AALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846848-B1 OPHTHALMIC VISCOELASTIC DEVICE ZEISS CARL MEDITEC AG (DE) 2018-03-07 — — EP disclosed
US-20150119356-A1 Ophthalmic Viscoelastic Device CARL ZEISS MEDITEC AG (DE) 2015-04-30 — — US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 — — US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 — — 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-20150119356-A1 Ophthalmic Viscoelastic Device UACA, ICAM1, VIM MAPT 499/4885KMT2A 3415/4885ALDH1A1 1235/4885

“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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