SCHEMBL17629196

SCHEMBL17629196

C=CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ACHE P22303 1/20 0.45
▸ TGM2 P21980 1/20 0.44
▸ APP P05067 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ FBP1 P09467 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41

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
SCHEMBL5578350 0.79 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7361151 0.76 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL514482 0.76 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL3328543 0.75 MAPT (0.79) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL223594 0.75 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL4163474 0.75 MAPT (0.79) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL10652156 0.75 MAPT (0.55) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL27909482 0.74 ALDH1A1 (0.72) MEN1KMT2AALDH1A1HSD17B10ACHE
SCHEMBL22567 0.74 ALDH1A1 (0.72) MEN1KMT2AALDH1A1HSD17B10ACHE
SCHEMBL4601126 0.73 TGM2 (0.51) MAPTMEN1KMT2AALDH1A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105246904-B Ruthenium base complex, their preparation and the purposes as catalyst 阿朗新科德国有限责任公司 2018-06-01 — — CN disclosed
EP-3004123-B1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-28 — — EP disclosed
US-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 — — US disclosed
US-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 — — US disclosed
EP-3004123-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS LANXESS Deutschland GmbH (DE) 2016-04-13 — — EP disclosed
US-20160090396-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2016-03-31 — — US disclosed
US-20160090396-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2016-03-31 — — US disclosed
US-20160090396-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2016-03-31 — — US disclosed
CN-105246904-A Ruthenium-based complexes, their preparation and use as catalysts LANXESS DEUTSCHLAND GMBH 2016-01-13 — — CN 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-20160090396-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS TST, VARS1, NBAS MAPT 3888/4885MEN1 1505/4885KMT2A 2303/4885

“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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