Sugi Predict

Sugi Predict / Compounds / SCHEMBL7250933

SCHEMBL7250933

SCHEMBL7250933

Nc1ccc(OCCCN2C=Cc3ccccc3C2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL7246779 0.77 HTR5A (0.57) GAAHPGDMEN1KMT2ATDP1
SCHEMBL11548169 0.77 MAPT (0.60) MAPTGAAHPGDALDH1A1MEN1
SCHEMBL11842808 0.76 MAPT (0.54) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL11549858 0.76 MAPT (0.59) MAPTGAAHPGDALDH1A1MEN1
SCHEMBL11550814 0.76 MAPT (0.59) MAPTGAAHPGDALDH1A1MEN1
SCHEMBL11545962 0.76 MAPT (0.59) MAPTGAAHPGDALDH1A1MEN1
SCHEMBL10959880 0.75 RAB9A (0.57) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL11545117 0.74 MAPT (0.60) MAPTGAAHPGDALDH1A1MEN1
SCHEMBL7249369 0.74 L3MBTL1 (0.55) MAPTGAAHPGDMEN1KMT2A
SCHEMBL214059 0.74 HRH3 (0.54) MAPTHPGDALDH1A1MEN1KMT2A

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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 — — US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 — — US disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 — — US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 — — US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 — — 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 (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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 HDAC3 1586/4885MAPT 32/4885ESR1 515/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 HDAC3 1586/4885MAPT 32/4885ESR1 515/4885

“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.