SCHEMBL5956630

SCHEMBL5956630

O=C(N[C@H]1CCOc2cc(C(=O)NSc3ccnc4c3ccn4CO)ccc21)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
ACHE P22303 1/20 0.33
PLAU P00749 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NTRK1 P04629 1/20 0.32
MAPK8 P45983 2/20 0.32
ROCK2 O75116 3/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ROCK1 Q13464 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
NAAA Q02083 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL5956731 0.90 DGAT1 (0.33) TBXA2RJAK2JAK1TYK2HPGD
SCHEMBL5956587 0.84 JAK2 (0.43) TBXA2RJAK2JAK1TYK2ACHE
SCHEMBL5956732 0.81 ROCK2 (0.40) TBXA2RACHEHPGDRAB9AHSD17B10
SCHEMBL5956632 0.75 DNMT1 (0.38) JAK2JAK1TYK2PLAUMEN1
SCHEMBL5956625 0.75 DNMT1 (0.38) JAK2JAK1TYK2PLAUMEN1
SCHEMBL5956854 0.74 TBXA2R (0.48) TBXA2RACHERAB9AALDH1A1GAA
SCHEMBL5956646 0.74 POLB (0.51) RAB9AROCK2MEN1KMT2A
SCHEMBL5956503 0.72 TRPV1 (0.36) MAPK8ROCK2TRPV1
SCHEMBL5956658 0.72 ALDH1A1 (0.44) ACHEHPGDRAB9AALDH1A1GAA
SCHEMBL19595055 0.68 ALDH1A1 (0.52) RAB9AALDH1A1GAAMEN1CYP1A2

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-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 TBXA2R 1428/4885JAK2 585/4885JAK1 490/4885

“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.