SCHEMBL10298077

SCHEMBL10298077

CC(Nc1ccc(O)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LDHA P00338 2/20 0.47
▸ LDHB P07195 1/20 0.47
▸ HAO1 Q9UJM8 1/20 0.47
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.43

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
SCHEMBL10298058 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1LDHALDHB
SCHEMBL3417243 0.79 PTPN5 (0.45) ALDH1A1TDP1AKR1C3AKR1C2MAPT
SCHEMBL4116157 0.78 PTPN5 (0.44) ALDH1A1TDP1AKR1C3AKR1C2MAPT
SCHEMBL30473065 0.75 KMT2A (0.64) ALDH1A1SMN1; SMN2TDP1AKR1C3AKR1C2
SCHEMBL610622 0.75 KMT2A (0.64) ALDH1A1SMN1; SMN2TDP1AKR1C3AKR1C2
SCHEMBL7860138 0.75 CRHBP (0.58) ALDH1A1SMN1; SMN2CRHBPCRHR2MAPT
SCHEMBL8364606 0.75 CRHBP (0.62) ALDH1A1CRHBPCRHR2MAPTMEN1
SCHEMBL5030292 0.75 CRHBP (0.62) ALDH1A1CRHBPCRHR2MAPTMEN1
SCHEMBL12877141 0.75 KDM4C (0.53) ALDH1A1TDP1AKR1C3AKR1C2MAPT
SCHEMBL129889 0.74 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TDP1MAPTMEN1

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
US-8211877-B2 Compounds, compositions and methods for preventing neurodegeneration in acute and chronic injuries in the central nervous system NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-07-03 — — US disclosed
US-8211878-B2 Method for reducing neuronal death in nervous system injuries resulting from amyotrophic lateral sclerosis NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-07-03 — — US disclosed
US-20100331284-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING NEURODEGENERATION IN ACUTE AND CHRONIC INJURIES IN THE CENTRAL NERVOUS SYSTEM NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2010-12-30 — — US disclosed
US-20100323995-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING NEURODEGENERATION IN ACUTE AND CHRONIC INJURIES IN THE CENTRAL NERVOUS SYSTEM NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2010-12-23 — — US disclosed
US-7750045-B2 Compounds, compositions and methods for preventing neurodegeneration in acute and chronic injuries in the central nervous system NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2010-07-06 — — 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 (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-20100331284-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING NEURODEGENERATION IN ACUTE AND CHRONIC INJURIES IN THE CENTRAL NERVOUS SYSTEM GRIK5, GRIN1, GRIN3A ALDH1A1 762/4885SMN1; SMN2 79/4885TDP1 2057/4885
US-20100323995-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING NEURODEGENERATION IN ACUTE AND CHRONIC INJURIES IN THE CENTRAL NERVOUS SYSTEM GRIK5, GRIN1, GRIN3A ALDH1A1 762/4885SMN1; SMN2 79/4885TDP1 2057/4885

“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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