SCHEMBL1645833

SCHEMBL1645833

COc1ccccc1NC(=O)CN

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.67
ALDH1A1 P00352 4/20 0.66
MAPT P10636 2/20 0.66
HSD17B10 Q99714 1/20 0.66
LMNA P02545 1/20 0.66
USP2 O75604 1/20 0.66
TSHR P16473 1/20 0.66
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 2/20 0.65
HTT P42858 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
Hydrochloric Acid SCHEMBL7422552 0.98 ADRA2C (0.65) ADRA2CALDH1A1MAPTHSD17B10LMNA
SCHEMBL2007035 0.87 MEN1 (0.76) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL54737 0.86 KMT2A (0.69) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL31590799 0.86 KMT2A (0.69) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL4593391 0.85 MAPT (0.73) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL4780753 0.84 SMN1; SMN2 (0.72) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL14899353 0.84 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL31522181 0.84 ADRA2C (0.72) ADRA2CALDH1A1MAPTHSD17B10LMNA
SCHEMBL19026947 0.83 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10LMNAUSP2
SCHEMBL3129403 0.83 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10LMNAUSP2

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
JP-4665239-B2 2011-04-06 JP claimed
US-11040939-B1 N-transfer reagent and method for preparing the same and its application NATIONAL CHENG KUNG UNIVERSITY (TW) 2021-06-22 US disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 WO disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 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-11040939-B1 N-transfer reagent and method for preparing the same and its application DNTT, NNMT, NMT1 ADRA2C 4130/4885ALDH1A1 1050/4885MAPT 1329/4885

“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.